- InChI
- InChI=1S/C22H30O5/c1-12(23)26-19-8-7-15-14-5-6-17-20(27-13(2)24)18(25)11-22(17,4)16(14)9-10-21(15,19)3/h14-16,19H,5-11H2,1-4H3
- InChI Key
- HYYXLHSTZSNUIA-UHFFFAOYSA-N
- Formula
- C22H30O5
- SMILES
-
CC(=O)OC1=C2CCC3C(CCC4(C)C(OC(
C)=O)CCC34)C2(C)CC1=O - Molecular Weight1
- 374.47
- CAS
- 1509-40-6
- 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° | -277.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -833.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.16 | kJ/mol | Joback Calculated Property |
| log10WS | -4.87 | Crippen Calculated Property | |
| logPoct/wat | 3.951 | Crippen Calculated Property | |
| McVol | 289.550 | ml/mol | McGowan Calculated Property |
| Pc | 1534.26 | kPa | Joback Calculated Property |
| Tboil | 967.46 | K | Joback Calculated Property |
| Tc | 1210.38 | K | Joback Calculated Property |
| Tfus | 673.04 | K | Joback Calculated Property |
| Vc | 1.099 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1063.71; 1239.74] | J/mol×K | [967.46; 1210.38] | 
|
| Cp,gas | 1063.71 | J/mol×K | 967.46 | Joback Calculated Property |
| Cp,gas | 1090.45 | J/mol×K | 1007.95 | Joback Calculated Property |
| Cp,gas | 1117.81 | J/mol×K | 1048.43 | Joback Calculated Property |
| Cp,gas | 1146.11 | J/mol×K | 1088.92 | Joback Calculated Property |
| Cp,gas | 1175.65 | J/mol×K | 1129.41 | Joback Calculated Property |
| Cp,gas | 1206.76 | J/mol×K | 1169.89 | Joback Calculated Property |
| Cp,gas | 1239.74 | J/mol×K | 1210.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to A-norandrost-3(5)-en-2-one, 3,17-dihydroxy-, diacetate.
Sources
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