- InChI
- InChI=1S/C22H34O3/c1-4-20(24)25-15-9-11-21(2)14(13-15)5-6-16-17-7-8-19(23)22(17,3)12-10-18(16)21/h14-18H,4-13H2,1-3H3
- InChI Key
- SAOVUTZAPBDLOX-UHFFFAOYSA-N
- Formula
- C22H34O3
- SMILES
-
CCC(=O)OC1CCC2(C)C(CCC3C4CCC(=
O)C4(C)CCC32)C1 - Molecular Weight1
- 346.50
- 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° | -73.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -650.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.25 | kJ/mol | Joback Calculated Property |
| log10WS | -5.41 | Crippen Calculated Property | |
| logPoct/wat | 4.920 | Crippen Calculated Property | |
| McVol | 286.410 | ml/mol | McGowan Calculated Property |
| Pc | 1464.61 | kPa | Joback Calculated Property |
| Inp | [2422.00; 2422.00] |
|
|
| Inp | 2422.00 | NIST | |
| Inp | 2422.00 | NIST | |
| Tboil | 881.65 | K | Joback Calculated Property |
| Tc | 1123.30 | K | Joback Calculated Property |
| Tfus | 567.32 | K | Joback Calculated Property |
| Vc | 1.079 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1041.52; 1213.47] | J/mol×K | [881.65; 1123.30] |
|
| Cp,gas | 1041.52 | J/mol×K | 881.65 | Joback Calculated Property |
| Cp,gas | 1069.44 | J/mol×K | 921.93 | Joback Calculated Property |
| Cp,gas | 1097.22 | J/mol×K | 962.20 | Joback Calculated Property |
| Cp,gas | 1125.19 | J/mol×K | 1002.48 | Joback Calculated Property |
| Cp,gas | 1153.67 | J/mol×K | 1042.75 | Joback Calculated Property |
| Cp,gas | 1182.99 | J/mol×K | 1083.03 | Joback Calculated Property |
| Cp,gas | 1213.47 | J/mol×K | 1123.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trans-androsterone, propionate.
Sources
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