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: | 70 | |
|---|---|---|
| Name: | 2,2,4,4-tetramethylpentane | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C9H20/c1-8(2,3)7-9(4,5)6/h7H2,1-6H3 |
Properties
BP: Boiling point [K]
| Value | Source or prediction |
|---|---|
| 395.85 |
experimental value |
| 391.53 |
Model_16: Table 6A (Training set) |
D: Density at 25C [g/cm^3]
| Value | Source or prediction |
|---|---|
| 715.61 |
experimental value |
| 709.45 |
Model_17: Table 6B (Training set) |
MR: Molar refraction at 20C [m^3/mol]
| Value | Source or prediction |
|---|---|
| 43.8747 |
experimental value |
| 44.0171 |
Model_7: Table 6C (Training set) |
RI: Refraction index at 25C
| Value | Source or prediction |
|---|---|
| 1.4046 |
experimental value |
| 1.4018 |
Model_18: Table 6D (Training set) |
CT: Critical temperature [K]
| Value | Source or prediction |
|---|---|
| 574.75 |
experimental value |
| 570.23 |
Model_19: Table 6E (Training set) |
CP: Critical pressure [atm]
| Value | Source or prediction |
|---|---|
| 24.58 |
experimental value |
| 23.5 |
Model_20: Table 6F (Training set) |
ST: Surface tension at 20C [dyn/cm]
| Value | Source or prediction |
|---|---|
| 20.37 |
experimental value |
| 20.15 |
Model_21: Table 6G (Training set) |
MV: Molar volume at 20C [cm3/mol]
| Value | Source or prediction |
|---|---|
| 178.256 |
experimental value |
| 179.567 |
Model_8: Table 6H (Training set) |
HC: Heat capacity at 300K [J*K^-1*mol^-1]
| Value | Source or prediction |
|---|---|
| 215.77 |
experimental value |
| 212.58 |
Model_9: Table 6I (Training set) |
E: Enthalphy at 300K
| Value | Source or prediction |
|---|---|
| 36.44 |
experimental value |
| 35.98 |
Model_10: Table 6J (Training set) |
HV: Heat of vaporization at 25C [kJ/mol]
| Value | Source or prediction |
|---|---|
| 38.1 |
experimental value |
| 38.3 |
Model_11: Table 6K (Training set) |
HA: Heat of atomization at 25C [kJ/mol]
| Value | Source or prediction |
|---|---|
| 11059.18 |
experimental value |
| 11170.47 |
Model_12: Table 6L (Training set) |
HF: Standard heat of formation at 25C [kJ/mol]
| Value | Source or prediction |
|---|---|
| 243.5 |
experimental value |
| 252.61 |
Model_13: Table 6M (Training set) |
HFL: Heat of formation in liquid at 25C [kJ/mol]
| Value | Source or prediction |
|---|---|
| 66.95 |
experimental value |
| 69.89 |
Model_14: Table 6N (Training set) |
HFG: Heat of formation in gas at 25C [kJ/mol]
| Value | Source or prediction |
|---|---|
| 58.16 |
experimental value |
| 61.03 |
Model_15: Table 6O (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID70147870 | US EPA CompTox Dashboard |