- InChI
- InChI=1S/C26H48/c1-8-10-19(2)11-13-21-20(3)12-14-23-25(21,6)18-15-22-24(4,5)16-9-17-26(22,23)7/h19-23H,8-18H2,1-7H3/t19-,20+,21-,22?,23?,25+,26+/m1/s1
- InChI Key
- LDBHPHKACOKILM-VKYVFDFSSA-N
- Formula
- C26H48
- SMILES
-
CCCC(C)CCC1C(C)CCC2C1(C)CCC1C(
C)(C)CCCC12C - Molecular Weight1
- 360.66
- 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° | 240.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -433.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.99 | kJ/mol | Joback Calculated Property |
| log10WS | -8.46 | Crippen Calculated Property | |
| logPoct/wat | 8.498 | Crippen Calculated Property | |
| McVol | 344.620 | ml/mol | McGowan Calculated Property |
| Pc | 983.93 | kPa | Joback Calculated Property |
| Inp | 2602.00 | NIST | |
| Tboil | 817.45 | K | Joback Calculated Property |
| Tc | 1033.34 | K | Joback Calculated Property |
| Tfus | 458.74 | K | Joback Calculated Property |
| Vc | 1.306 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1195.20; 1389.85] | J/mol×K | [817.45; 1033.34] | 
|
| Cp,gas | 1195.20 | J/mol×K | 817.45 | Joback Calculated Property |
| Cp,gas | 1226.86 | J/mol×K | 853.43 | Joback Calculated Property |
| Cp,gas | 1258.38 | J/mol×K | 889.41 | Joback Calculated Property |
| Cp,gas | 1290.09 | J/mol×K | 925.39 | Joback Calculated Property |
| Cp,gas | 1322.35 | J/mol×K | 961.37 | Joback Calculated Property |
| Cp,gas | 1355.48 | J/mol×K | 997.36 | Joback Calculated Property |
| Cp,gas | 1389.85 | J/mol×K | 1033.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Perhydrophenanthrene, 1B-(3S-methylhexyl)-2A,4bB,8,8,10aB-pentamethyl.
Sources
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