Liu, S.; Cai, S.; Cao, C.; Li, Z. Molecular Electronegative Distance Vector (MEDV) Related to 15 Properties of Alkanes. J. Chem. Inf. Model. 2000, 40, 6, 1337–1348.
Compound
| ID: | 107 | |
|---|---|---|
| Name: | 3,3,4-trimethylheptane | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C10H22/c1-6-8-9(3)10(4,5)7-2/h9H,6-8H2,1-5H3 |
Properties
BP: Boiling point [K]
| Value | Source or prediction |
|---|---|
| 437.15 |
experimental value |
| 434.64 |
Model_16: Table 6A (Training set) |
D: Density at 25C [g/cm^3]
| Value | Source or prediction |
|---|---|
| 752.7 |
experimental value |
| 752.81 |
Model_17: Table 6B (Training set) |
RI: Refraction index at 25C
| Value | Source or prediction |
|---|---|
| 1.4236 |
experimental value |
| 1.422 |
Model_18: Table 6D (Training set) |
HC: Heat capacity at 300K [J*K^-1*mol^-1]
| Value | Source or prediction |
|---|---|
| 233.6 |
experimental value |
| 233.19 |
Model_9: Table 6I (Training set) |
E: Enthalphy at 300K
| Value | Source or prediction |
|---|---|
| 40.46 |
experimental value |
| 40.28 |
Model_10: Table 6J (Training set) |