- InChI
- InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,19-22,25-27H,7-10,12-18H2,1-6H3/t20-,21-,22+,25-,26?,27?,28+,29-/m0/s1
- InChI Key
- JWANJDUXWSJWER-WHNXKXCLSA-N
- Formula
- C29H48O
- SMILES
-
CCC(CCC(C)C1CCC2C3=CCC4CC(=O)C
CC4(C)C3CCC21C)C(C)C - Molecular Weight1
- 412.69
- 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° | 239.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -498.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.78 | kJ/mol | Joback Calculated Property |
| log10WS | -8.50 | Crippen Calculated Property | |
| logPoct/wat | 8.233 | Crippen Calculated Property | |
| McVol | 373.300 | ml/mol | McGowan Calculated Property |
| Pc | 945.00 | kPa | Joback Calculated Property |
| Inp | [3420.00; 3420.00] |
|
|
| Inp | 3420.00 | NIST | |
| Inp | 3420.00 | NIST | |
| Tboil | 973.01 | K | Joback Calculated Property |
| Tc | 1207.19 | K | Joback Calculated Property |
| Tfus | 546.57 | K | Joback Calculated Property |
| Vc | 1.417 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1414.77; 1627.84] | J/mol×K | [973.01; 1207.19] |
|
| Cp,gas | 1414.77 | J/mol×K | 973.01 | Joback Calculated Property |
| Cp,gas | 1447.96 | J/mol×K | 1012.04 | Joback Calculated Property |
| Cp,gas | 1481.61 | J/mol×K | 1051.07 | Joback Calculated Property |
| Cp,gas | 1516.07 | J/mol×K | 1090.10 | Joback Calculated Property |
| Cp,gas | 1551.70 | J/mol×K | 1129.13 | Joback Calculated Property |
| Cp,gas | 1588.83 | J/mol×K | 1168.16 | Joback Calculated Property |
| Cp,gas | 1627.84 | J/mol×K | 1207.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5«alpha»-Stigmast-7-en-3-one.
Sources
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