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: | 139 | |
|---|---|---|
| Name: | 3,3-dimethyl-4-ethylhexane | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C10H22/c1-6-9(7-2)10(4,5)8-3/h9H,6-8H2,1-5H3 |
Properties
BP: Boiling point [K]
| Value | Source or prediction |
|---|---|
| 438.15 |
experimental value |
| 436.18 |
Model_16: Table 6A (Training set) |
D: Density at 25C [g/cm^3]
| Value | Source or prediction |
|---|---|
| 759.8 |
experimental value |
| 758.68 |
Model_17: Table 6B (Training set) |
RI: Refraction index at 25C
| Value | Source or prediction |
|---|---|
| 1.4246 |
experimental value |
| 1.4243 |
Model_18: Table 6D (Training set) |
HC: Heat capacity at 300K [J*K^-1*mol^-1]
| Value | Source or prediction |
|---|---|
| 228.2 |
experimental value |
| 234.84 |
Model_9: Table 6I (Training set) |
E: Enthalphy at 300K
| Value | Source or prediction |
|---|---|
| 39.92 |
experimental value |
| 40.5 |
Model_10: Table 6J (Training set) |