- InChI
- InChI=1S/C23H30O5/c1-13(24)28-16-6-8-22(2)15(12-16)4-5-17-18(22)7-9-23(3)19(17)10-14(21(23)27)11-20(25)26/h4,11,16-19H,5-10,12H2,1-3H3,(H,25,26)/b14-11+
- InChI Key
- WFBQLTRVAIINMK-SDNWHVSQSA-N
- Formula
- C23H30O5
- SMILES
-
CC(=O)OC1CCC2(C)C(=CCC3C4CC(=C
C(=O)O)C(=O)C4(C)CCC32)C1 - Molecular Weight1
- 386.48
- CAS
- 96708-99-5
- 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).
- 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° | -257.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -792.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.95 | kJ/mol | Joback Calculated Property |
| log10WS | -4.88 | Crippen Calculated Property | |
| logPoct/wat | 4.071 | Crippen Calculated Property | |
| McVol | 299.340 | ml/mol | McGowan Calculated Property |
| Pc | 1637.78 | kPa | Joback Calculated Property |
| Tboil | 1066.03 | K | Joback Calculated Property |
| Tc | 1312.55 | K | Joback Calculated Property |
| Tfus | 717.22 | K | Joback Calculated Property |
| Vc | 1.131 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1153.52; 1365.04] | J/mol×K | [1066.03; 1312.55] | 
|
| Cp,gas | 1153.52 | J/mol×K | 1066.03 | Joback Calculated Property |
| Cp,gas | 1183.55 | J/mol×K | 1107.12 | Joback Calculated Property |
| Cp,gas | 1215.19 | J/mol×K | 1148.20 | Joback Calculated Property |
| Cp,gas | 1248.81 | J/mol×K | 1189.29 | Joback Calculated Property |
| Cp,gas | 1284.75 | J/mol×K | 1230.38 | Joback Calculated Property |
| Cp,gas | 1323.37 | J/mol×K | 1271.46 | Joback Calculated Property |
| Cp,gas | 1365.04 | J/mol×K | 1312.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Androstene-3beta-ol,17-one-16-ylidenacetic acid, 3-acetate.
Sources
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