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: | 4 | |
|---|---|---|
| Name: | butane | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3 |
Properties
BP: Boiling point [K]
| Value | Source or prediction |
|---|---|
| 272.65 |
experimental value |
| 270.63 |
Model_16: Table 6A (Training set) |
CT: Critical temperature [K]
| Value | Source or prediction |
|---|---|
| 425.16 |
experimental value |
| 431.15 |
Model_19: Table 6E (Training set) |
CP: Critical pressure [atm]
| Value | Source or prediction |
|---|---|
| 37.47 |
experimental value |
| 36.96 |
Model_20: Table 6F (Training set) |
HA: Heat of atomization at 25C [kJ/mol]
| Value | Source or prediction |
|---|---|
| 5176.18 |
experimental value |
| 5220.79 |
Model_12: Table 6L (Training set) |
HF: Standard heat of formation at 25C [kJ/mol]
| Value | Source or prediction |
|---|---|
| 126.23 |
experimental value |
| 129.95 |
Model_13: Table 6M (Training set) |
HFL: Heat of formation in liquid at 25C [kJ/mol]
| Value | Source or prediction |
|---|---|
| 35.34 |
experimental value |
| 35.99 |
Model_14: Table 6N (Training set) |
HFG: Heat of formation in gas at 25C [kJ/mol]
| Value | Source or prediction |
|---|---|
| 30.15 |
experimental value |
| 30.43 |
Model_15: Table 6O (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7024665 | US EPA CompTox Dashboard |