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: | 2 | |
|---|---|---|
| Name: | ethane | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C2H6/c1-2/h1-2H3 |
Properties
BP: Boiling point [K]
| Value | Source or prediction |
|---|---|
| 184.55 |
experimental value |
| 188.14 |
Model_16: Table 6A (Training set) |
CT: Critical temperature [K]
| Value | Source or prediction |
|---|---|
| 305.42 |
experimental value |
| 321 |
Model_19: Table 6E (Training set) |
CP: Critical pressure [atm]
| Value | Source or prediction |
|---|---|
| 48.2 |
experimental value |
| 47.78 |
Model_20: Table 6F (Training set) |
HFL: Heat of formation in liquid at 25C [kJ/mol]
| Value | Source or prediction |
|---|---|
| 22.5 |
experimental value |
| 22.51 |
Model_14: Table 6N (Training set) |
HFG: Heat of formation in gas at 25C [kJ/mol]
| Value | Source or prediction |
|---|---|
| 20.24 |
experimental value |
| 20.12 |
Model_15: Table 6O (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6026377 | US EPA CompTox Dashboard |