- InChI
- InChI=1S/C20H24Br2O3/c1-10(23)25-17-6-5-15-12-3-4-13-14(9-16(21)19(24)18(13)22)11(12)7-8-20(15,17)2/h9,11-12,15,17,24H,3-8H2,1-2H3
- InChI Key
- YGDGJBWJHHTLMF-UHFFFAOYSA-N
- Formula
- C20H24Br2O3
- SMILES
-
CC(=O)OC1CCC2C3CCc4c(cc(Br)c(O
)c4Br)C3CCC12C - Molecular Weight1
- 472.21
- CAS
- 95946-09-1
- 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° | -21.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -442.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.73 | kJ/mol | Joback Calculated Property |
| log10WS | -7.03 | Crippen Calculated Property | |
| logPoct/wat | 5.705 | Crippen Calculated Property | |
| McVol | 284.630 | ml/mol | McGowan Calculated Property |
| Pc | 2267.57 | kPa | Joback Calculated Property |
| Tboil | 1007.51 | K | Joback Calculated Property |
| Tc | 1271.45 | K | Joback Calculated Property |
| Tfus | 744.82 | K | Joback Calculated Property |
| Vc | 1.012 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [939.04; 1113.48] | J/mol×K | [1007.51; 1271.45] | 
|
| Cp,gas | 939.04 | J/mol×K | 1007.51 | Joback Calculated Property |
| Cp,gas | 963.34 | J/mol×K | 1051.50 | Joback Calculated Property |
| Cp,gas | 989.00 | J/mol×K | 1095.49 | Joback Calculated Property |
| Cp,gas | 1016.45 | J/mol×K | 1139.48 | Joback Calculated Property |
| Cp,gas | 1046.07 | J/mol×K | 1183.47 | Joback Calculated Property |
| Cp,gas | 1078.28 | J/mol×K | 1227.46 | Joback Calculated Property |
| Cp,gas | 1113.48 | J/mol×K | 1271.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 17Beta-acetoxy-2,4-dibromoestra-1,3,5(10)-trien-3-ol.
Sources
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