- InChI
- InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h17-20,23-26H,7-16H2,1-6H3/t19-,20-,23+,24-,25+,26+,27+,28-/m0/s1
- InChI Key
- QQIOPZFVTIHASB-XGKIWTSOSA-N
- Formula
- C28H46O
- SMILES
-
CC(C)C(C)CCC(C)C1CCC2C3CCC4=CC
(=O)CCC4(C)C3CCC12C - Molecular Weight1
- 398.66
- CAS
- 51014-22-3
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 231.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -478.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.55 | kJ/mol | Joback Calculated Property |
| log10WS | -8.08 | Crippen Calculated Property | |
| logPoct/wat | 7.843 | Crippen Calculated Property | |
| McVol | 359.210 | ml/mol | McGowan Calculated Property |
| Pc | 1003.35 | kPa | Joback Calculated Property |
| Inp | [3370.70; 3370.70] |
|
|
| Inp | 3370.70 | NIST | |
| Inp | 3370.70 | NIST | |
| Tboil | 950.13 | K | Joback Calculated Property |
| Tc | 1185.11 | K | Joback Calculated Property |
| Tfus | 535.30 | K | Joback Calculated Property |
| Vc | 1.361 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1344.94; 1550.44] | J/mol×K | [950.13; 1185.11] |
|
| Cp,gas | 1344.94 | J/mol×K | 950.13 | Joback Calculated Property |
| Cp,gas | 1377.23 | J/mol×K | 989.29 | Joback Calculated Property |
| Cp,gas | 1409.84 | J/mol×K | 1028.46 | Joback Calculated Property |
| Cp,gas | 1443.11 | J/mol×K | 1067.62 | Joback Calculated Property |
| Cp,gas | 1477.40 | J/mol×K | 1106.78 | Joback Calculated Property |
| Cp,gas | 1513.06 | J/mol×K | 1145.94 | Joback Calculated Property |
| Cp,gas | 1550.44 | J/mol×K | 1185.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Campestene-3-one.
Sources
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