- InChI
- InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-10,20-21,23-29H,8,11-19H2,1-7H3/b10-9+/t21-,23?,24+,25-,26?,27?,28?,29?,30-,31+/m1/s1
- InChI Key
- SNLRWRYYFMQYJK-WTNZWOCRSA-N
- Formula
- C31H52O2
- SMILES
-
CCC(C=CC(C)C1CCC2C3CCC4CC(OC(C
)=O)CCC4(C)C3CCC12C)C(C)C - Molecular Weight1
- 456.74
- 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° | 189.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -617.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.52 | kJ/mol | Joback Calculated Property |
| log10WS | -8.79 | Crippen Calculated Property | |
| logPoct/wat | 8.451 | Crippen Calculated Property | |
| McVol | 407.350 | ml/mol | McGowan Calculated Property |
| Pc | 830.98 | kPa | Joback Calculated Property |
| Inp | 3253.00 | NIST | |
| Tboil | 1017.92 | K | Joback Calculated Property |
| Tc | 1252.40 | K | Joback Calculated Property |
| Tfus | 546.21 | K | Joback Calculated Property |
| Vc | 1.538 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1582.57; 1817.52] | J/mol×K | [1017.92; 1252.40] | 
|
| Cp,gas | 1582.57 | J/mol×K | 1017.92 | Joback Calculated Property |
| Cp,gas | 1618.34 | J/mol×K | 1057.00 | Joback Calculated Property |
| Cp,gas | 1654.95 | J/mol×K | 1096.08 | Joback Calculated Property |
| Cp,gas | 1692.80 | J/mol×K | 1135.16 | Joback Calculated Property |
| Cp,gas | 1732.25 | J/mol×K | 1174.24 | Joback Calculated Property |
| Cp,gas | 1773.70 | J/mol×K | 1213.32 | Joback Calculated Property |
| Cp,gas | 1817.52 | J/mol×K | 1252.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 24-Ethyl-22-coprostenol acetate.
Sources
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