- InChI
- InChI=1S/C23H40O/c1-16-8-11-20-22(5,18(16)10-9-17(2)24)15-12-19-21(3,4)13-7-14-23(19,20)6/h16,18-20H,7-15H2,1-6H3/t16-,18+,19?,20?,22-,23-/m1/s1
- InChI Key
- XNAGUWARFHSTGQ-RTEXWSOPSA-N
- Formula
- C23H40O
- SMILES
-
CC(=O)CCC1C(C)CCC2C1(C)CCC1C(C
)(C)CCCC12C - Molecular Weight1
- 332.56
- 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° | 88.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -478.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.45 | kJ/mol | Joback Calculated Property |
| log10WS | -6.72 | Crippen Calculated Property | |
| logPoct/wat | 6.651 | Crippen Calculated Property | |
| McVol | 303.920 | ml/mol | McGowan Calculated Property |
| Pc | 1235.48 | kPa | Joback Calculated Property |
| Inp | 2542.00 | NIST | |
| Tboil | 803.12 | K | Joback Calculated Property |
| Tc | 1029.06 | K | Joback Calculated Property |
| Tfus | 489.86 | K | Joback Calculated Property |
| Vc | 1.151 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1034.58; 1217.07] | J/mol×K | [803.12; 1029.06] | 
|
| Cp,gas | 1034.58 | J/mol×K | 803.12 | Joback Calculated Property |
| Cp,gas | 1063.94 | J/mol×K | 840.78 | Joback Calculated Property |
| Cp,gas | 1093.22 | J/mol×K | 878.43 | Joback Calculated Property |
| Cp,gas | 1122.79 | J/mol×K | 916.09 | Joback Calculated Property |
| Cp,gas | 1153.04 | J/mol×K | 953.75 | Joback Calculated Property |
| Cp,gas | 1184.34 | J/mol×K | 991.40 | Joback Calculated Property |
| Cp,gas | 1217.07 | J/mol×K | 1029.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Perhydrophenanthrene, 2A,4bB,8,8,10aB-pentamethyl-1B-(3-oxobutyl).
Sources
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