- InChI
- InChI=1S/C19H28O4/c1-11(20)22-15-7-5-13-12-4-6-16-19(3,10-17(21)23-16)14(12)8-9-18(13,15)2/h12-16H,4-10H2,1-3H3
- InChI Key
- QYFCQUMQUQZBSH-UHFFFAOYSA-N
- Formula
- C19H28O4
- SMILES
-
CC(=O)OC1CCC2C3CCC4OC(=O)CC4(C
)C3CCC12C - Molecular Weight1
- 320.42
- CAS
- 1509-47-3
- 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 | 0.5717 | Relay (1.0) Calculated Property | |
| ΔfG° | -173.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -828.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.476 | Crippen Calculated Property | |
| McVol | 250.010 | ml/mol | McGowan Calculated Property |
| Pc | 1796.98 | kPa | Joback Calculated Property |
| Tboil | 647.24 | K | Relay (1.0) Calculated Property |
| Tc | 914.25 | K | Relay (1.0) Calculated Property |
| Tfus | 387.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.923 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [884.39; 1039.58] | J/mol×K | [835.69; 1080.23] | 
|
| Cp,gas | 884.39 | J/mol×K | 835.69 | Joback Calculated Property |
| Cp,gas | 909.69 | J/mol×K | 876.45 | Joback Calculated Property |
| Cp,gas | 934.76 | J/mol×K | 917.20 | Joback Calculated Property |
| Cp,gas | 959.96 | J/mol×K | 957.96 | Joback Calculated Property |
| Cp,gas | 985.61 | J/mol×K | 998.71 | Joback Calculated Property |
| Cp,gas | 1012.04 | J/mol×K | 1039.47 | Joback Calculated Property |
| Cp,gas | 1039.58 | J/mol×K | 1080.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Oxa-a-nor-5alpha-androstan-2-one, 17-hydroxy-, acetate.
Sources
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