Saldana, D. A.; Starck, L.; Mougin, P.; Rousseau, B.; Pidol, L.; Jeuland, N.; Creton, B. Flash Point and Cetane Number Predictions for Fuel Compounds Using Quantitative Structure Property Relationship (QSPR) Methods. Energy Fuels 2011, 25, 9, 3900–3908.

631 compounds | Property FP: Flash point [K]

ID	Name	FP	Details
1	(2E)-but-2-ene-1,4-diol	401.15	View
2	(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol	422	View
3	(2S)-butane-1,2,4-triol	385	View
4	(2Z)-but-2-ene-1,4-diol	401.15	View
9	2-butyl-2-ethylpropane-1,3-diol	386	View
10	2-butyloctan-1-ol	382.15	View
11	2-ethylbutan-1-ol	330	View
12	2-ethylhexan-1-ol	346	View
13	2-ethylhexane-1,3-diol	409	View
14	2-methylbutan-1-ol	316.15	View
15	2-methylbutan-2-ol	294	View
20	2-methylpentan-1-ol	319	View
22	2-methylpentane-2,4-diol	366	View
23	2-methylpropan-1-ol	301	View
24	2-methylpropan-2-ol	284.26	View
25	2,2-bis(hydroxymethyl)propane-1,3-diol	533.15	View
26	2,2-diethylpropane-1,3-diol	374.15	View
27	2,2-dimethylpropane-1,3-diol	371.15	View
28	2,2,4-trimethylpentan-1-ol	329.75	View
29	2,2,4-trimethylpentane-1,3-diol	383.15	View
30	2,3-dimethylbutane-2,3-diol	350	View
31	2,3,4-trimethylpentan-1-ol	333	View
32	2,4,4-trimethylpentan-1-ol	333.15	View
35	3-methylbutan-1-ol	316	View
36	3-methylbutan-2-ol	299.15	View
38	3-methylheptan-3-ol	327	View
42	3-methylpentan-1-ol	331.15	View
43	3-methylpentan-3-ol	297.15	View
44	3,3-dimethylbutan-1-ol	321.15	View
45	4-methylpentan-2-ol	314	View
46	5-methylheptan-3-ol	327	View
47	8-methylnonan-1-ol	377.59	View
48	butan-1-ol	310	View
49	butan-2-ol	296.15	View
51	butane-1,2-diol	363.15	View
52	butane-1,3-diol	382	View
53	butane-1,4-diol	407.15	View
54	butane-2,3-diol	358.15	View
55	decan-1-ol	378	View
67	ethane-1,2-diol	383.15	View
68	ethanol	286	View
73	heptan-1-ol	346	View
74	heptan-2-ol	332.15	View
81	hexan-1-ol	335.15	View
82	hexan-2-ol	314	View
84	hexane-1,2,6-triol	471	View
85	hexane-1,6-diol	420.15	View
86	hexane-2,5-diol	374	View
87	methanol	284	View
92	nonan-1-ol	353	View
96	oct-1-en-3-ol	341	View
101	octan-1-ol	354	View
102	octan-2-ol	358	View
109	pentan-1-ol	330	View
110	pentan-2-ol	314	View
111	pentan-3-ol	313	View
116	pentane-1,5-diol	402.15	View
117	pentane-2,4-diol	374.15	View
118	prop-2-en-1-ol	294	View
119	propan-1-ol	298	View
120	propan-2-ol	285.15	View
121	propane-1,1-diol	372	View
122	propane-1,2-diol	372	View
123	propane-1,2,3-triol	433.15	View
124	propane-1,3-diol	352.15	View
125	tetradecan-1-ol	418	View
129	tridecan-1-ol	394	View
137	(1-methylheptyl)benzene	373	View
138	(1E)-prop-1-en-1-ylbenzene	325.15	View
139	(1Z)-prop-1-enylbenzene	311	View
140	(2-methylbutyl)benzene	337	View
141	(2,2-dimethylpropyl)benzene	323	View
149	1-ethyl-2-isopropylbenzene	331	View
150	1-ethyl-2-methylbenzene	312.15	View
151	1-ethyl-2,3-dimethylbenzene	338	View
152	1-ethyl-2,4-dimethylbenzene	330	View
153	1-ethyl-3-methylbenzene	311.15	View
155	1-ethyl-4-methylbenzene	309.15	View
159	1-methyl-2-ethenylbenzene	320.15	View
160	1-methyl-3-(propan-2-yl)benzene	323	View
161	1-methyl-3-ethenylbenzene	324.15	View
162	1-methyl-3-propylbenzene	325	View
164	1-methyl-4-ethenylbenzene	319	View
169	1,1-diphenylethane	402.04	View
170	1,2-diethylbenzene	330.37	View
171	1,2-dimethyl-3-propylbenzene	345	View
172	1,2-dimethylbenzene	290	View
173	1,2-diphenylbenzene	436	View
174	1,2-diphenylethane	402.04	View
175	1,2,3-trimethylbenzene	317.15	View
176	1,2,3,4-tetramethylbenzene	341.15	View
177	1,2,3,5-tetramethylbenzene	336.48	View
178	1,2,4-triethylbenzene	353.15	View
180	1,2,4-trimethylbenzene	318.65	View
181	1,2,4,5-tetramethylbenzene	328	View
182	1,3-di(propan-2-yl)benzene	349	View
184	1,3-diethylbenzene	329	View
185	1,3-diphenylbenzene	464	View
186	1,3-xylene	298.15	View
187	1,3,5-triethylbenzene	354.15	View
188	1,3,5-triisopropylbenzene	359.82	View
189	1,3,5-trimethylbenzene	317.55	View
190	1,4-diethylbenzene	329.15	View
191	1,4-diisopropylbenzene	349	View
192	1,4-dimethylbenzene	298.15	View
194	1,4-diphenylbenzene	480	View
195	2-ethyl-1,4-dimethylbenzene	329	View
203	2-phenyl-2-methylbutane	338	View
207	2,2-diphenylpropane	383.15	View
216	4-ethyl-1,2-dimethylbenzene	331	View
217	4-isopropyltoluene	320	View
228	alpha-methylstyrene	313.15	View
229	benzene	262	View
230	biphenyl	386	View
232	cyclohexylbenzene	372	View
233	diphenylmethane	403.15	View
235	ethenylbenzene	305	View
236	ethylbenzene	288.15	View
239	indane	321.65	View
240	isobutylbenzene	325.15	View
241	isopentylbenzene	335	View
242	isopropylbenzene	304.15	View
243	n-butylbenzene	323.15	View
244	n-decylbenzene	380	View
245	n-dodecylbenzene	414	View
246	n-heptylbenzene	368.15	View
247	n-hexylbenzene	353.15	View
248	n-propylbenzene	303.15	View
249	n-undecylbenzene	417	View
251	nonylbenzene	372	View
253	octylbenzene	380.15	View
257	pentamethylbenzene	364.15	View
258	pentylbenzene	338.15	View
264	sec-butylbenzene	325	View
265	tert-butylbenzene	333.15	View
268	tetralin	350	View
269	toluene	277.15	View
271	(1R)-1-phenylethan-1-ol	358.15	View
272	(2-methylphenyl)methanol	377.15	View
273	(3-methylphenyl)methanol	378.15	View
274	[4-(hydroxymethyl)phenyl]methanol	461	View
275	{4-[(benzoyloxy)methyl]cyclohexyl}methyl benzoate	434	View
276	1-phenylpropan-1-ol	363.15	View
277	1-phenylpropan-2-ol	358.15	View
278	2-ethylphenol	351.15	View
279	2-furylmethanol	356	View
280	2-methylphenol	354	View
281	2-phenylethanol	369	View
282	2-phenylpropan-1-ol	366.15	View
283	2-phenylpropan-2-ol	360.15	View
284	2,6-di-tert-butyl-p-cresol	390.15	View
285	3-ethylphenol	367.15	View
286	3-methylphenol	368	View
287	3-phenylpropan-1-ol	373.15	View
288	4-(2-methylbutan-2-yl)phenol	384	View
289	4-[2-(4-hydroxyphenyl)propan-2-yl]phenol	480.15	View
290	4-ethylphenol	373.15	View
291	4-methylphenol	368	View
292	4-tert-butylbenzene-1,2-diol	403	View
293	4-tert-butylphenol	386	View
294	benzene-1,2-diol	400	View
295	benzene-1,3-diol	400	View
296	benzene-1,4-diol	438	View
297	benzyl benzoate	418.15	View
298	benzyl ethanoate	363.15	View
299	benzyl methanoate	355	View
300	butyl benzoate	379.15	View
301	di-n-butyl phthalate	430.15	View
302	di-n-decyl phthalate	505	View
303	di-n-hexyl phthalate	466.15	View
304	di-n-nonyl phthalate	489.15	View
305	diethyl phthalate	390.37	View
306	diisobutyl phthalate	434.15	View
307	diisodecyl phthalate	505.37	View
308	dimethyl isophthalate	411.15	View
309	dimethyl phthalate	419	View
310	dioctyl phthalate	489	View
311	ethyl benzoate	357.15	View
312	methyl benzoate	355.15	View
313	n-propyl benzoate	371.15	View
314	nonylphenol	411	View
315	phenol	353	View
316	phenylmethanol	374	View
317	xylen-2,4-ol	368.15	View
318	xylen-2,6-ol	346.15	View
319	(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol	366.15	View
320	1-methylcyclohexan-1-ol	338.15	View
321	1,2,3,6-tetrahydrobenzyl alcohol	346.15	View
322	1,4-cyclohexanedimethanol	434.15	View
323	2-(4-methylcyclohex-3-en-1-yl)propan-2-ol	367.15	View
324	4-methyl-cyclohexane-methanol	354	View
325	5-methyloxolan-2-one	354	View
326	cis-2-methylcyclohexanol	331.15	View
327	cis-3-methylcyclohexanol	335.15	View
328	cis-4-methylcyclohexanol	343.15	View
329	cyclohexanol	341	View
330	cyclohexyl ethanoate	330.15	View
331	cyclohexyl methanoate	324.15	View
332	dimethyl-1,4-cyclohexanedicarboxylate	383.15	View
333	oxepan-2-one	382.15	View
334	oxetan-2-one	343.15	View
335	oxolan-2-one	371.48	View
336	trans-2-methylcyclohexanol	331.15	View
337	trans-3-methylcyclohexanol	335.15	View
341	1-ethylpropyl ethanoate	318	View
342	1-methylethenyl ethanoate	283	View
343	1,2-dimethylpropyl ethanoate	316	View
345	2-ethylhexyl ethanoate	344.15	View
348	2-ethylhexyl prop-2-enoate	355.15	View
349	2,2-dimethylpropyl methanoate	311	View
350	2,2-dimethylpropyl propanoate	334	View
359	allyl 2-methylpropenoate	306.15	View
360	allyl ethanoate	295.37	View
361	allylidene diethanoate	355.37	View
366	butyl 2-methylprop-2-enoate	322	View
367	butyl butanoate	326.48	View
371	butyl ethanoate	295	View
373	butyl methanoate	291	View
376	butyl prop-2-enoate	312	View
377	butyl propanoate	305.37	View
384	decyl ethanoate	378	View
386	decyl methanoate	373	View
389	di(2-ethylhexyl)hexanedioate	466	View
390	diallyl (2Z)-but-2-enedioate	393	View
391	dibutyl (2Z)-but-2-enedioate	413	View
392	dibutyl decanedioate	451.15	View
393	diethyl (2Z)-but-2-enedioate	366.15	View
394	diethyl butanedioate	363	View
395	diethyl carbonate	298	View
397	diethyl oxalate	395	View
398	diethyl propanedioate	366.15	View
399	dihexyl hexanedioate	464	View
400	dimethyl (2Z)-but-2-enedioate	368.15	View
401	dimethyl propanedioate	363.15	View
402	dioctyl hexanedioate	451.75	View
404	dodecyl butanoate	433	View
406	dodecyl ethanoate	389	View
408	dodecyl propanoate	421	View
410	ethenyl 2,2-dimethylpropanoate	282.15	View
411	ethenyl ethanoate	265	View
412	ethenyl methanoate	256	View
413	ethenyl propanoate	274	View
414	ethyl (2E,4E)-hexa-2,4-dienoate	342.15	View
415	ethyl (2E,4Z)-deca-2,4-dienoate	386.15	View
416	ethyl (2E)-but-2-enoate	275.15	View
417	ethyl (2E)-dec-2-enoate	364.15	View
418	ethyl (2E)-hex-3-enoate	332.15	View
419	ethyl (2E)-oct-2-enoate	371.15	View
420	ethyl (2E)-oct-4-enoate	352.15	View
424	ethyl (9Z)-octadec-9-enoate	365	View
425	ethyl 2-hydroxypropanoate	319	View
426	ethyl 2-methylprop-2-enoate	293.15	View
428	ethyl buta-2,3-dienoate	320.15	View
429	ethyl butanoate	297.15	View
430	ethyl decanoate	375.15	View
431	ethyl dodecanoate	386.15	View
432	ethyl eicosanoate	444	View
433	ethyl ethanoate	269	View
434	ethyl hept-6-enoate	352.15	View
435	ethyl heptadecanoate	428	View
436	ethyl heptanoate	347.15	View
437	ethyl hexadecanoate	386.15	View
438	ethyl hexanoate	326.15	View
439	ethyl isobutanoate	287	View
440	ethyl isopentanoate	298.15	View
441	ethyl methanoate	253.15	View
442	ethyl nonanoate	367.15	View
443	ethyl octadecanoate	441	View
444	ethyl octanoate	354.15	View
445	ethyl pentanoate	307.15	View
446	ethyl prop-2-enoate	282.15	View
447	ethyl propanoate	285	View
448	ethyl tetradecanoate	386.15	View
450	ethyl undec-10-enoate	386.15	View
451	ethyl undecanoate	386.15	View
452	ethylene glycol diethanoate	361.15	View
453	ethylene glycol diprop-2-enoate	373.15	View
455	heptyl ethanoate	349	View
462	hexyl ethanoate	310.15	View
464	hexyl methanoate	330	View
467	isobutyl 2-methylpropanoate	311.15	View
468	isobutyl 2-methylpropenoate	314.15	View
469	isobutyl butanoate	330	View
472	isobutyl ethanoate	291	View
474	isobutyl methanoate	302	View
476	isobutyl prop-2-enoate	304.26	View
477	isobutyl propanoate	320	View
479	isopentyl butanoate	331	View
481	isopentyl dodecanoate	386.15	View
482	isopentyl ethanoate	298.15	View
483	isopentyl hexanoate	358	View
484	isopentyl isopentanoate	345	View
485	isopentyl methanoate	314	View
486	isopentyl propanoate	321	View
490	isopropyl ethanoate	275	View
493	methyl (11E)-octadec-11-enoate	335.15	View
494	methyl (11Z)-eicos-11-enoate	386.15	View
495	methyl (11Z)-octadec-11-enoate	335.15	View
496	methyl (13Z)-docos-13-enoate	306.15	View
498	methyl (2E)-non-2-enoate	364.15	View
499	methyl (2E)-oct-2-enoate	356.15	View
500	methyl (2E)-penta-2,4-dienoate	310.15	View
501	methyl (2Z)-penta-2,4-dienoate	310.15	View
502	methyl (3E)-hex-3-enoate	319.15	View
503	methyl (3E)-non-3-enoate	361.15	View
504	methyl (3E)-pent-3-enoate	297.15	View
505	methyl (3Z)-non-3-enoate	361.15	View
506	methyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate	366.15	View
507	methyl (5Z,8Z,11Z,14Z,17Z)-eicosa-5,8,11,14,17-pentaenoate	377.15	View
508	methyl (6E,9E,12E)-octadeca-6,9,12-trienoate	335.15	View
509	methyl (6E,9E,12Z)-octadeca-6,9,12-trienoate	335.15	View
510	methyl (6E,9Z,12E)-octadeca-6,9,12-trienoate	335.15	View
511	methyl (6E,9Z,12Z)-octadeca-6,9,12-trienoate	335.15	View
512	methyl (6Z,9E,12E)-octadeca-6,9,12-trienoate	335.15	View
513	methyl (6Z,9E,12Z)-octadeca-6,9,12-trienoate	335.15	View
514	methyl (6Z,9Z,12E)-octadeca-6,9,12-trienoate	335.15	View
515	methyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate	335.15	View
516	methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate	386.15	View
517	methyl (9Z,12Z)-octadeca-9,12-dienoate	386.15	View
518	methyl (9Z)-hexadec-9-enoate	386.15	View
519	methyl (9Z)-octadec-9-enoate	386.15	View
520	methyl 10-undecenoate	373.15	View
521	methyl 2-methylprop-2-enoate	284.15	View
522	methyl 2-methylpropanoate	276.15	View
523	methyl but-3-enoate	293.15	View
524	methyl butanoate	287	View
525	methyl decanoate	367.15	View
526	methyl dodecanoate	386.15	View
527	methyl eicosanoate	386.15	View
528	methyl ethanoate	263.15	View
529	methyl heneicosanoate	386.15	View
530	methyl heptadecanoate	383.15	View
531	methyl heptanoate	325.15	View
532	methyl hex-5-enoate	319.15	View
533	methyl hexadecanoate	425	View
534	methyl hexanoate	316.15	View
535	methyl methanoate	254	View
536	methyl nonadecanoate	386.15	View
537	methyl nonanoate	360.15	View
538	methyl octadecanoate	388	View
539	methyl octanoate	342.15	View
540	methyl pent-4-enoate	302.15	View
541	methyl pentadecanoate	386.15	View
542	methyl prop-2-enoate	270	View
543	methyl propanoate	271	View
545	methyl tridecanoate	386.15	View
547	n-butyl octadecanoate	433.15	View
548	n-propyl ethanoate	288	View
549	n-propyl methanoate	270	View
550	n-propyl propanoate	292.15	View
551	neopentyl ethanoate	316	View
552	nonyl ethanoate	372.15	View
553	nonyl methanoate	360	View
557	octyl butanoate	378	View
559	octyl ethanoate	359.15	View
561	octyl methanoate	353	View
568	pentyl butanoate	345	View
572	pentyl ethanoate	312.15	View
574	pentyl methanoate	319	View
577	pentyl propanoate	336	View
585	propyl 2-methylprop-2-enoate	322	View
592	propyl prop-2-enoate	311	View
597	sec-butyl ethanoate	255.15	View
599	sec-butyl methanoate	299	View
601	tert-butyl 2-methylprop-2-enoate	300.15	View
602	tert-butyl butanoate	320	View
603	tert-butyl ethanoate	287.25	View
604	tert-butyl methanoate	264.15	View
606	tetradecyl methanoate	433	View
608	undecyl butanoate	421	View
609	undecyl ethanoate	398	View
610	undecyl methanoate	385	View
611	undecyl propanoate	410	View
618	1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene	318.15	View
619	1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene	319.15	View
620	1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene	324.15	View
621	1-trans-3,5-trimethylcyclohexane	292.15	View
622	1,1-diethylcyclohexane	322.15	View
623	1,1-dimethylcyclohexane	280	View
624	1,1-dimethylcyclopentane	257	View
628	1,3-dimethyladamantane	325.15	View
639	2-methyl-5-propan-2-ylcyclohexa-1,3-diene	322	View
641	2-norbornene	258.15	View
645	3-methylidene-6-(propan-2-yl)cyclohex-1-ene	322.15	View
646	3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane	309.15	View
652	4,6,6-trimethylbicyclo[3.1.1]hept-3-ene	303.15	View
653	5-ethylidene-2-norbornene	311.15	View
656	6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane	304	View
657	bicyclohexyl	347.15	View
658	butylcyclohexane	321	View
659	butylcyclopentane	308	View
661	cis-1,2-dimethylcyclohexane	284	View
662	cis-1,2-dimethylcyclopentane	269	View
663	cis-1,3-dimethylcyclohexane	279	View
664	cis-1,4-dimethylcyclohexane	279	View
665	cis-decalin	323.15	View
666	cyclodecane	338	View
667	cyclododeca-1,5,9-triene	360.15	View
668	cycloheptane	267.15	View
669	cyclohexa-1,3-diene	257	View
670	cyclohexa-1,4-diene	262.15	View
671	cyclohexane	253.15	View
672	cyclononane	316	View
673	cycloocta-1,3,5,7-tetraene	295	View
674	cycloocta-1,5-diene	308.15	View
675	cyclooctane	303.15	View
676	cyclopenta-1,3-diene	273	View
677	cyclopentane	236	View
679	dicyclopentadiene	305.37	View
682	ethenylnorbornene	300.15	View
683	ethylcyclohexane	295.15	View
684	ethylcyclopentane	269	View
689	isopropylcyclohexane	308.15	View
690	isopropylcyclopentane	287	View
691	methylcyclohexane	267.15	View
692	methylcyclopentadiene	322.04	View
693	methylcyclopentane	246	View
694	methylenecyclopentane	254	View
701	pentylcyclohexane	339	View
702	prop-2-enylcyclohexane	302	View
703	prop-2-enylcyclopentane	285	View
704	propylcyclohexane	304	View
705	propylcyclopentane	289	View
709	terpinolene	311	View
710	tert-butylcyclohexane	315	View
713	trans-1,2-dimethylcyclohexane	280	View
714	trans-1,3-dimethylcyclohexane	281	View
715	trans-1,4-dimethylcyclohexane	284.15	View
716	trans-decalin	325.15	View
725	(2E,4E)-hexa-2,4-diene	266.15	View
726	(2E)-2-hexene	246	View
727	(2E)-2-pentene	228	View
728	(2E)-3-heptene	267.15	View
729	(2E)-3-methylpent-2-ene	246	View
730	(2E)-4-methylpent-2-ene	239	View
731	(2E)-hept-2-ene	272	View
732	(2E)-oct-2-ene	294.26	View
733	(2Z,4E)-hexa-2,4-diene	266.15	View
734	(2Z)-3-methylpent-2-ene	245	View
735	(2Z)-4-methylpent-2-ene	237	View
736	(2Z)-but-2-ene	200	View
737	(2Z)-hept-2-ene	265	View
738	(2Z)-hex-2-ene	247	View
739	(2Z)-oct-2-ene	294	View
740	(2Z)-pent-2-ene	226	View
741	(3E)-1,3-hexadiene	254.15	View
742	(3E)-3-hexene	261.15	View
743	(3E)-3-octene	282	View
744	(3Z)-hept-3-ene	264	View
745	(3Z)-hex-3-ene	245	View
746	(3Z)-oct-3-ene	290	View
748	(4E)-hexa-1,4-diene	248.15	View
749	(4E)-oct-4-ene	281	View
752	(4Z)-hexa-1,4-diene	248.15	View
753	(4Z)-oct-4-ene	290	View
767	1-methylcyclohex-1-ene	272	View
768	1-methylcyclopent-1-ene	256	View
769	1,3-dimethylcyclohex-1-ene	285	View
770	2-ethylbut-1-ene	247.15	View
771	2-ethylpent-1-ene	263	View
772	2-methylbut-1-ene	226	View
773	2-methylbut-2-ene	228	View
774	2-methylhept-1-ene	283	View
775	2-methylhept-2-ene	281	View
776	2-methylhex-1-ene	267	View
777	2-methylpent-1-ene	247	View
778	2-methylpent-2-ene	250	View
779	2-methylprop-1-ene	197	View
781	2,3-dimethylbut-1-ene	255.15	View
782	2,3-dimethylbut-2-ene	257.15	View
783	2,3-dimethylbuta-1,3-diene	251.15	View
784	2,3-dimethylhex-1-ene	281	View
785	2,3-dimethylpent-1-ene	256	View
786	2,3,3-trimethylbut-1-ene	256.15	View
787	2,3,4-trimethylpent-2-ene	275	View
788	2,4,4-trimethylpent-1-ene	268	View
789	2,4,4-trimethylpent-2-ene	272.15	View
790	2,5-dimethylhexa-1,5-diene	280	View
791	2,5-dimethylhexa-2,4-diene	297.15	View
793	3-ethylhex-1-ene	274	View
794	3-ethylpent-1-ene	256	View
795	3-ethylpent-2-ene	267	View
796	3-methylbut-1-ene	217	View
797	3-methylbuta-1,2-diene	261.15	View
798	3-methylcyclohex-1-ene	270	View
799	3-methylhex-1-ene	255	View
800	3-methylpent-1-ene	245	View
801	3-methylpenta-1,3-diene	245	View
803	3,3-dimethylbut-1-ene	245.15	View
804	4-ethenylcyclohex-1-ene	289	View
806	4-methylhept-1-ene	275	View
807	4-methylhex-1-ene	258	View
808	4-methylpent-1-ene	242	View
809	4-methylpenta-1,3-diene	255	View
810	4,4-dimethylpent-1-ene	261	View
811	5-methylhex-1-ene	263	View
813	7-methyloct-1-ene	291	View
816	but-1-ene	193	View
817	buta-1,3-diene	197.15	View
818	cycloheptene	267.15	View
819	cyclohexene	243.15	View
820	cyclooctene	298.15	View
821	cyclopentene	244	View
822	dec-1-ene	311	View
824	dodec-1-ene	346	View
826	hept-1-ene	265.15	View
828	hepta-1,6-diene	263	View
829	heptadec-1-ene	408	View
830	hex-1-ene	247	View
831	hexa-1,5-diene	246	View
832	hexadec-1-ene	405.15	View
833	isoprene	219.26	View
834	non-1-ene	298	View
835	nona-1,8-diene	299	View
836	oct-1-ene	281	View
837	octa-1,7-diene	282	View
838	octadec-1-ene	421.15	View
839	pent-1-ene	222	View
840	pentadec-1-ene	385	View
841	propylene	165	View
842	tetradec-1-ene	370	View
843	tridec-1-ene	352.15	View
844	undec-1-ene	327	View
918	2-methylheptane	277.15	View
920	2-methylhexane	255	View
922	2-methylnonane	314	View
924	2-methyloctane	297	View
929	2,2-dimethylbutane	225	View
931	2,2-dimethylheptane	297	View
932	2,2-dimethylhexane	269	View
933	2,2-dimethyloctane	304	View
934	2,2-dimethylpentane	258.15	View
935	2,2-dimethylpropane	208	View
936	2,2,3-trimethylbutane	249	View
937	2,2,3-trimethylhexane	288	View
938	2,2,3-trimethylpentane	270	View
939	2,2,3,3-tetramethylbutane	278	View
940	2,2,3,3-tetramethylhexane	304	View
941	2,2,3,3-tetramethylpentane	289	View
942	2,2,3,4-tetramethylhexane	304	View
943	2,2,3,4-tetramethylpentane	284	View
944	2,2,4-trimethylhexane	288	View
945	2,2,4-trimethylpentane	261	View
946	2,2,4,4-tetramethylhexane	304	View
947	2,2,4,4-tetramethylpentane	276	View
948	2,2,4,4,6,8,8-heptamethylnonane	368.15	View
952	2,2,5-trimethylhexane	286	View
953	2,2,5,5-tetramethylhexane	289	View
954	2,3-dimethylbutane	244	View
956	2,3-dimethylheptane	288	View
957	2,3-dimethylhexane	278.48	View
958	2,3-dimethyloctane	309	View
959	2,3-dimethylpentane	258	View
960	2,3,3-trimethylhexane	288	View
961	2,3,3-trimethylpentane	273	View
962	2,3,3,4-tetramethylhexane	304	View
963	2,3,3,4-tetramethylpentane	284	View
964	2,3,4-trimethylhexane	288	View
965	2,3,4-trimethylpentane	273	View
966	2,3,4,4-tetramethylhexane	304	View
967	2,3,4,5-tetramethylhexane	304	View
968	2,3,5-trimethylheptane	304	View
969	2,3,5-trimethylhexane	288	View
976	2,4-dimethylheptane	288	View
977	2,4-dimethylhexane	283.15	View
978	2,4-dimethylpentane	261	View
979	2,4,4-trimethylhexane	288	View
980	2,4,5-trimethylheptane	304	View
981	2,4,6-trimethylheptane	304	View
983	2,5-dimethylheptane	288	View
984	2,5-dimethylhexane	271	View
988	2,6-dimethylheptane	299	View
989	2,6-dimethyloctane	307	View
990	2,6,10,15,19,23-hexamethyltetracosane	490	View
995	2,7-dimethyloctane	314	View
999	3-ethyl-2-methylpentane	276	View
1000	3-ethyl-2,2-dimethylhexane	311	View
1001	3-ethyl-2,2-dimethylpentane	286	View
1002	3-ethyl-2,3-dimethylpentane	288	View
1003	3-ethyl-2,3,4-trimethylpentane	304	View
1004	3-ethyl-2,4-dimethylpentane	288	View
1005	3-ethyl-3-methylheptane	314	View
1006	3-ethyl-3-methylpentane	276	View
1007	3-ethyl-4-methylhexane	288	View
1008	3-ethyl-5-methylheptane	304	View
1015	3-ethylhexane	278	View
1021	3-ethylpentane	261	View
1030	3-methylheptane	279	View
1032	3-methylhexane	269	View
1033	3-methylnonane	311	View
1035	3-methyloctane	297	View
1036	3-methylpentane	241	View
1037	3,3-diethylpentane	294	View
1038	3,3-dimethylhexane	272	View
1039	3,3-dimethyloctane	314	View
1040	3,3-dimethylpentane	254	View
1041	3,3,4-trimethylhexane	288	View
1042	3,3,4,4-tetramethylhexane	304	View
1043	3,3,5-trimethylheptane	304	View
1044	3,4-dimethylheptane	288	View
1045	3,4-dimethylhexane	277	View
1046	3,4,5-trimethylheptane	304	View
1047	3,5-dimethylheptane	288	View
1048	3,5-dimethyloctane	314	View
1063	4-ethyl-3-methylheptane	314	View
1065	4-ethylheptane	288	View
1067	4-ethyloctane	314	View
1071	4-methylheptane	279.15	View
1072	4-methylnonane	311	View
1073	4-methyloctane	295	View
1079	4-propylheptane	314	View
1089	4,4-dimethylheptane	288	View
1102	5-methylnonane	312	View
1138	isobutane	190.15	View
1139	isohexane	250	View
1140	isopentane	217.15	View
1143	n-decane	319	View
1144	n-dodecane	347	View
1146	n-heptadecane	421.15	View
1147	n-heptane	269	View
1148	n-hexadecane	408.15	View
1149	n-hexane	251.5	View
1150	n-nonadecane	441	View
1151	n-nonane	304	View
1152	n-octadecane	438.15	View
1153	n-octane	286	View
1154	n-pentadecane	388	View
1155	n-pentane	233.15	View
1157	n-tetradecane	373.15	View
1158	n-tridecane	352	View
1159	n-undecane	338.15	View

Bibliography

Saldana, D. A.; Starck, L.; Mougin, P.; Rousseau, B.; Pidol, L.; Jeuland, N.; Creton, B. Flash Point and Cetane Number Predictions for Fuel Compounds Using Quantitative Structure Property Relationship (QSPR) Methods. Energy & Fuels 2011, 25, 3900–3908. https://doi.org/10.1021/ef200795j

10967/123 - QDB Compounds

QsarDB Repository

Saldana, D. A.; Starck, L.; Mougin, P.; Rousseau, B.; Pidol, L.; Jeuland, N.; Creton, B. Flash Point and Cetane Number Predictions for Fuel Compounds Using Quantitative Structure Property Relationship (QSPR) Methods. Energy Fuels 2011, 25, 9, 3900–3908.

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