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: | 126 | |
|---|---|---|
| Name: | 2,2,5,5-tetramethylhexane | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C10H22/c1-9(2,3)7-8-10(4,5)6/h7-8H2,1-6H3 |
Properties
BP: Boiling point [K]
| Value | Source or prediction |
|---|---|
| 410.61 |
experimental value |
| 412.99 |
Model_16: Table 6A (Training set) |
D: Density at 25C [g/cm^3]
| Value | Source or prediction |
|---|---|
| 714.8 |
experimental value |
| 718.74 |
Model_17: Table 6B (Training set) |
RI: Refraction index at 25C
| Value | Source or prediction |
|---|---|
| 1.4055 |
experimental value |
| 1.4073 |
Model_18: Table 6D (Training set) |
HC: Heat capacity at 300K [J*K^-1*mol^-1]
| Value | Source or prediction |
|---|---|
| 229.8 |
experimental value |
| 234.96 |
Model_9: Table 6I (Training set) |
E: Enthalphy at 300K
| Value | Source or prediction |
|---|---|
| 39.37 |
experimental value |
| 40 |
Model_10: Table 6J (Training set) |
HFL: Heat of formation in liquid at 25C [kJ/mol]
| Value | Source or prediction |
|---|---|
| 77.32 |
experimental value |
| 76.61 |
Model_14: Table 6N (Training set) |
HFG: Heat of formation in gas at 25C [kJ/mol]
| Value | Source or prediction |
|---|---|
| 67.29 |
experimental value |
| 66.53 |
Model_15: Table 6O (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID90147918 | US EPA CompTox Dashboard |