- InChI
- InChI=1S/C23H42/c1-7-8-10-18-17(2)11-12-20-22(18,5)16-13-19-21(3,4)14-9-15-23(19,20)6/h17-20H,7-16H2,1-6H3/t17-,18+,19?,20?,22-,23-/m1/s1
- InChI Key
- DANSPNRFCNAGDG-VFUCBVMXSA-N
- Formula
- C23H42
- SMILES
-
CCCCC1C(C)CCC2C1(C)CCC1C(C)(C)
CCCC12C - Molecular Weight1
- 318.58
- 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° | 217.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -366.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.70 | kJ/mol | Joback Calculated Property |
| log10WS | -7.44 | Crippen Calculated Property | |
| logPoct/wat | 7.472 | Crippen Calculated Property | |
| McVol | 302.350 | ml/mol | McGowan Calculated Property |
| Pc | 1182.53 | kPa | Joback Calculated Property |
| Inp | 2338.00 | NIST | |
| Tboil | 749.25 | K | Joback Calculated Property |
| Tc | 969.54 | K | Joback Calculated Property |
| Tfus | 439.93 | K | Joback Calculated Property |
| Vc | 1.145 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [998.61; 1176.46] | J/mol×K | [749.25; 969.54] | 
|
| Cp,gas | 998.61 | J/mol×K | 749.25 | Joback Calculated Property |
| Cp,gas | 1028.56 | J/mol×K | 785.96 | Joback Calculated Property |
| Cp,gas | 1057.92 | J/mol×K | 822.68 | Joback Calculated Property |
| Cp,gas | 1087.04 | J/mol×K | 859.39 | Joback Calculated Property |
| Cp,gas | 1116.26 | J/mol×K | 896.11 | Joback Calculated Property |
| Cp,gas | 1145.95 | J/mol×K | 932.82 | Joback Calculated Property |
| Cp,gas | 1176.46 | J/mol×K | 969.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Perhydrophenanthrene, 1B-butyl-2A,4bB,8,8,10aB-pentamethyl.
Sources
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