- InChI
- InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/i9D
- InChI Key
- AEMFNILZOJDQLW-QOWOAITPSA-N
- Formula
- C19H25DO2
- SMILES
-
CC12CCC3C(CCC4=CC(=O)CCC43C)C1
CCC2=O - Molecular Weight1
- 287.41
- 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 | 0.4797 | Relay (... Calculated Property | |
| ΔfG° | 48.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -364.87 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 15.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.05 | kJ/mol | Relay (... Calculated Property |
| IE | 8.72 | eV | Relay (... Calculated Property |
| log10WS | -4.56 | Relay (... Calculated Property | |
| logPoct/wat | 4.087 | Crippen Calculated Property | |
| McVol | 233.970 | ml/mol | McGowan Calculated Property |
| Pc | 1977.07 | kPa | Joback Calculated Property |
| Tboil | 630.96 | K | Relay (... Calculated Property |
| Tc | 922.76 | K | Relay (... Calculated Property |
| Tfus | 430.88 | K | Relay (... Calculated Property |
| Vc | 0.828 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [803.48; 967.22] | J/mol×K | [818.02; 1084.47] | 
|
| Cp,gas | 803.48 | J/mol×K | 818.02 | Joback Calculated Property |
| Cp,gas | 830.12 | J/mol×K | 862.43 | Joback Calculated Property |
| Cp,gas | 856.47 | J/mol×K | 906.84 | Joback Calculated Property |
| Cp,gas | 882.94 | J/mol×K | 951.24 | Joback Calculated Property |
| Cp,gas | 909.95 | J/mol×K | 995.65 | Joback Calculated Property |
| Cp,gas | 937.91 | J/mol×K | 1040.06 | Joback Calculated Property |
| Cp,gas | 967.22 | J/mol×K | 1084.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Androsta-4-ene-3,17-dione, 1alpha-deuterio-.
Sources
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