- InChI
- InChI=1S/C20H32O2/c1-19-10-8-14(22-3)12-13(19)4-5-15-16-6-7-18(21)20(16,2)11-9-17(15)19/h13-17H,4-12H2,1-3H3
- InChI Key
- OZUIPNMWFGWFOM-UHFFFAOYSA-N
- Formula
- C20H32O2
- SMILES
-
COC1CCC2(C)C(CCC3C4CCC(=O)C4(C
)CCC32)C1 - Molecular Weight1
- 304.47
- 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° | 38.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -496.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.05 | kJ/mol | Joback Calculated Property |
| log10WS | -4.80 | Crippen Calculated Property | |
| logPoct/wat | 4.613 | Crippen Calculated Property | |
| McVol | 256.660 | ml/mol | McGowan Calculated Property |
| Pc | 1620.68 | kPa | Joback Calculated Property |
| Inp | [2564.60; 2564.60] |
|
|
| Inp | 2564.60 | NIST | |
| Inp | 2564.60 | NIST | |
| Tboil | 782.02 | K | Joback Calculated Property |
| Tc | 1027.22 | K | Joback Calculated Property |
| Tfus | 494.85 | K | Joback Calculated Property |
| Vc | 0.962 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [885.56; 1049.73] | J/mol×K | [782.02; 1027.22] |
|
| Cp,gas | 885.56 | J/mol×K | 782.02 | Joback Calculated Property |
| Cp,gas | 913.78 | J/mol×K | 822.89 | Joback Calculated Property |
| Cp,gas | 941.22 | J/mol×K | 863.75 | Joback Calculated Property |
| Cp,gas | 968.20 | J/mol×K | 904.62 | Joback Calculated Property |
| Cp,gas | 995.05 | J/mol×K | 945.49 | Joback Calculated Property |
| Cp,gas | 1022.12 | J/mol×K | 986.35 | Joback Calculated Property |
| Cp,gas | 1049.73 | J/mol×K | 1027.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-Androsterone, methyl ether.
Sources
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