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: | 133 | |
|---|---|---|
| Name: | 2,2-dimethyl-4-ethylhexane | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C10H22/c1-6-9(7-2)8-10(3,4)5/h9H,6-8H2,1-5H3 |
Properties
BP: Boiling point [K]
| Value | Source or prediction |
|---|---|
| 420.15 |
experimental value |
| 424.54 |
Model_16: Table 6A (Training set) |
D: Density at 25C [g/cm^3]
| Value | Source or prediction |
|---|---|
| 730.2 |
experimental value |
| 733.74 |
Model_17: Table 6B (Training set) |
RI: Refraction index at 25C
| Value | Source or prediction |
|---|---|
| 1.4107 |
experimental value |
| 1.4128 |
Model_18: Table 6D (Training set) |
HC: Heat capacity at 300K [J*K^-1*mol^-1]
| Value | Source or prediction |
|---|---|
| 236.1 |
experimental value |
| 236.39 |
Model_9: Table 6I (Training set) |
E: Enthalphy at 300K
| Value | Source or prediction |
|---|---|
| 41.92 |
experimental value |
| 41.37 |
Model_10: Table 6J (Training set) |