- InChI
- InChI=1S/C24H36O3/c1-23-12-3-6-21(25)20(23)8-7-17-18-9-10-22(24(18,2)13-11-19(17)23)27-16-5-4-14-26-15-16/h3,6,16-20,22H,4-5,7-15H2,1-2H3
- InChI Key
- KFFGVJSLJVBNAO-UHFFFAOYSA-N
- Formula
- C24H36O3
- SMILES
-
CC12CCC3C(CCC4C(=O)C=CCC43C)C1
CCC2OC1CCCOC1 - Molecular Weight1
- 372.54
- 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).
- Inp : Non-polar retention indices.
- 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° | 40.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -598.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.19 | kJ/mol | Joback Calculated Property |
| log10WS | -5.42 | Crippen Calculated Property | |
| logPoct/wat | 4.938 | Crippen Calculated Property | |
| McVol | 303.730 | ml/mol | McGowan Calculated Property |
| Pc | 1439.16 | kPa | Joback Calculated Property |
| Inp | [2609.00; 2609.00] |
|
|
| Inp | 2609.00 | NIST | |
| Inp | 2609.00 | NIST | |
| Inp | 2609.00 | NIST | |
| Tboil | 919.20 | K | Joback Calculated Property |
| Tc | 1178.14 | K | Joback Calculated Property |
| Tfus | 574.64 | K | Joback Calculated Property |
| Vc | 1.125 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1152.04; 1348.50] | J/mol×K | [919.20; 1178.14] |
|
| Cp,gas | 1152.04 | J/mol×K | 919.20 | Joback Calculated Property |
| Cp,gas | 1183.52 | J/mol×K | 962.36 | Joback Calculated Property |
| Cp,gas | 1214.95 | J/mol×K | 1005.51 | Joback Calculated Property |
| Cp,gas | 1246.74 | J/mol×K | 1048.67 | Joback Calculated Property |
| Cp,gas | 1279.31 | J/mol×K | 1091.83 | Joback Calculated Property |
| Cp,gas | 1313.09 | J/mol×K | 1134.99 | Joback Calculated Property |
| Cp,gas | 1348.50 | J/mol×K | 1178.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Androst-2-en-4-one, 17-(tetrahydropyran-3-yl)oxy-.
Sources
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