- InChI
- InChI=1S/C19H30O3/c1-12(20)22-17-7-5-14-13-4-6-16-19(3,10-11-21-16)15(13)8-9-18(14,17)2/h13-17H,4-11H2,1-3H3
- InChI Key
- WGNHYETZCSPJTP-UHFFFAOYSA-N
- Formula
- C19H30O3
- SMILES
-
CC(=O)OC1CCC2C3CCC4OCCC4(C)C3C
CC12C - Molecular Weight1
- 306.44
- CAS
- 1509-45-1
- 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).
- 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 | 0.5286 | Relay (... Calculated Property | |
| ΔfG° | -50.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -666.09 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 30.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.42 | kJ/mol | Relay (... Calculated Property |
| IE | 8.78 | eV | Relay (... Calculated Property |
| log10WS | -4.24 | Relay (... Calculated Property | |
| logPoct/wat | 3.950 | Crippen Calculated Property | |
| McVol | 248.440 | ml/mol | McGowan Calculated Property |
| Pc | 1744.82 | kPa | Joback Calculated Property |
| Tboil | 615.61 | K | Relay (... Calculated Property |
| Tc | 893.58 | K | Relay (... Calculated Property |
| Tfus | 367.23 | K | Relay (... Calculated Property |
| Vc | 0.922 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [841.02; 989.22] | J/mol×K | [767.87; 1002.91] | 
|
| Cp,gas | 841.02 | J/mol×K | 767.87 | Joback Calculated Property |
| Cp,gas | 866.18 | J/mol×K | 807.04 | Joback Calculated Property |
| Cp,gas | 890.70 | J/mol×K | 846.22 | Joback Calculated Property |
| Cp,gas | 914.93 | J/mol×K | 885.39 | Joback Calculated Property |
| Cp,gas | 939.21 | J/mol×K | 924.57 | Joback Calculated Property |
| Cp,gas | 963.85 | J/mol×K | 963.74 | Joback Calculated Property |
| Cp,gas | 989.22 | J/mol×K | 1002.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Oxa-a-nor-5alpha-androstan-17-ol, acetate.
Sources
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