- InChI
- InChI=1S/C19H26O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16,21H,3-8,10H2,1-2H3/t12-,13-,14-,16+,18+,19-/m1/s1
- InChI Key
- WVAMBAWFDOYFOD-RITAXZTOSA-N
- Formula
- C19H26O3
- SMILES
-
CC12CCC3C(CC(O)C4=CC(=O)CCC43C
)C1CCC2=O - Molecular Weight1
- 302.41
- CAS
- 63-00-3
- 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).
- 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° | -96.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -566.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.61 | kJ/mol | Joback Calculated Property |
| log10WS | -3.94 | Crippen Calculated Property | |
| logPoct/wat | 3.058 | Crippen Calculated Property | |
| McVol | 239.840 | ml/mol | McGowan Calculated Property |
| Pc | 2085.03 | kPa | Joback Calculated Property |
| Tboil | 905.53 | K | Joback Calculated Property |
| Tc | 1151.14 | K | Joback Calculated Property |
| Tfus | 607.91 | K | Joback Calculated Property |
| Vc | 0.900 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [880.55; 1039.62] | J/mol×K | [905.53; 1151.14] | 
|
| Cp,gas | 880.55 | J/mol×K | 905.53 | Joback Calculated Property |
| Cp,gas | 905.20 | J/mol×K | 946.47 | Joback Calculated Property |
| Cp,gas | 930.17 | J/mol×K | 987.40 | Joback Calculated Property |
| Cp,gas | 955.78 | J/mol×K | 1028.34 | Joback Calculated Property |
| Cp,gas | 982.35 | J/mol×K | 1069.27 | Joback Calculated Property |
| Cp,gas | 1010.19 | J/mol×K | 1110.21 | Joback Calculated Property |
| Cp,gas | 1039.62 | J/mol×K | 1151.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6Beta-hydroxyandrost-4-ene-3,17-dione.
Sources
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