- InChI
- InChI=1S/C25H40O3/c1-4-5-6-7-23(27)28-18-12-14-24(2)17(16-18)8-9-19-20-10-11-22(26)25(20,3)15-13-21(19)24/h17-21H,4-16H2,1-3H3
- InChI Key
- SMYVCRCXPSLNDH-UHFFFAOYSA-N
- Formula
- C25H40O3
- SMILES
-
CCCCCC(=O)OC1CCC2(C)C(CCC3C4CC
C(=O)C4(C)CCC32)C1 - Molecular Weight1
- 388.58
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7090 | Relay (1.0) Calculated Property | |
| ΔfG° | -48.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -783.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.090 | Crippen Calculated Property | |
| McVol | 328.680 | ml/mol | McGowan Calculated Property |
| Pc | 1188.24 | kPa | Joback Calculated Property |
| Inp | [2597.00; 2597.00] |
|
|
| Inp | 2597.00 | NIST | |
| Inp | 2597.00 | NIST | |
| Tboil | 679.25 | K | Relay (1.0) Calculated Property |
| Tc | 962.70 | K | Relay (1.0) Calculated Property |
| Tfus | 389.91 | K | Relay (1.0) Calculated Property |
| Vc | 1.190 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1240.37; 1428.41] | J/mol×K | [950.29; 1185.02] |
|
| Cp,gas | 1240.37 | J/mol×K | 950.29 | Joback Calculated Property |
| Cp,gas | 1270.15 | J/mol×K | 989.41 | Joback Calculated Property |
| Cp,gas | 1300.14 | J/mol×K | 1028.53 | Joback Calculated Property |
| Cp,gas | 1330.65 | J/mol×K | 1067.65 | Joback Calculated Property |
| Cp,gas | 1361.99 | J/mol×K | 1106.77 | Joback Calculated Property |
| Cp,gas | 1394.47 | J/mol×K | 1145.89 | Joback Calculated Property |
| Cp,gas | 1428.41 | J/mol×K | 1185.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trans-androsterone, hexanoate.
Sources
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