| ID: | 6 | |
|---|---|---|
| Name: | pentane | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3 |
BP: Boiling point [K]
| Value | Source or prediction |
|---|---|
| 309.25 |
experimental value |
| 311.14 |
Model_16: Table 6A (Training set) |
MR: Molar refraction at 20C [m^3/mol]
| Value | Source or prediction |
|---|---|
| 25.2656 |
experimental value |
| 25.463 |
Model_7: Table 6C (Training set) |
CT: Critical temperature [K]
| Value | Source or prediction |
|---|---|
| 469.77 |
experimental value |
| 473.05 |
Model_19: Table 6E (Training set) |
CP: Critical pressure [atm]
| Value | Source or prediction |
|---|---|
| 33.31 |
experimental value |
| 33.49 |
Model_20: Table 6F (Training set) |
ST: Surface tension at 20C [dyn/cm]
| Value | Source or prediction |
|---|---|
| 16 |
experimental value |
| 17.21 |
Model_21: Table 6G (Training set) |
MV: Molar volume at 20C [cm3/mol]
| Value | Source or prediction |
|---|---|
| 115.205 |
experimental value |
| 115.014 |
Model_8: Table 6H (Training set) |
HV: Heat of vaporization at 25C [kJ/mol]
| Value | Source or prediction |
|---|---|
| 26.42 |
experimental value |
| 27.16 |
Model_11: Table 6K (Training set) |
HA: Heat of atomization at 25C [kJ/mol]
| Value | Source or prediction |
|---|---|
| 6349.91 |
experimental value |
| 6368.4 |
Model_12: Table 6L (Training set) |
HF: Standard heat of formation at 25C [kJ/mol]
| Value | Source or prediction |
|---|---|
| 146.54 |
experimental value |
| 148.62 |
Model_13: Table 6M (Training set) |
HFL: Heat of formation in liquid at 25C [kJ/mol]
| Value | Source or prediction |
|---|---|
| 41.4 |
experimental value |
| 41.83 |
Model_14: Table 6N (Training set) |
HFG: Heat of formation in gas at 25C [kJ/mol]
| Value | Source or prediction |
|---|---|
| 35 |
experimental value |
| 35.23 |
Model_15: Table 6O (Training set) |
| Link | Resource description |
|---|---|
| DTXSID2025846 | US EPA CompTox Dashboard |