- InChI
- InChI=1S/C25H46/c1-8-18(2)10-12-20-19(3)11-13-22-24(20,6)17-14-21-23(4,5)15-9-16-25(21,22)7/h18-22H,8-17H2,1-7H3/t18?,19-,20+,21?,22?,24-,25-/m0/s1
- InChI Key
- YFMRPILVLYAHKS-GPABRMKCSA-N
- Formula
- C25H46
- SMILES
-
CCC(C)CCC1C(C)CCC2C1(C)CCC1C(C
)(C)CCCC12C - Molecular Weight1
- 346.63
- 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° | 231.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -412.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.77 | kJ/mol | Joback Calculated Property |
| log10WS | -8.04 | Crippen Calculated Property | |
| logPoct/wat | 8.108 | Crippen Calculated Property | |
| McVol | 330.530 | ml/mol | McGowan Calculated Property |
| Pc | 1045.97 | kPa | Joback Calculated Property |
| Inp | 2508.00 | NIST | |
| Tboil | 794.57 | K | Joback Calculated Property |
| Tc | 1012.63 | K | Joback Calculated Property |
| Tfus | 447.47 | K | Joback Calculated Property |
| Vc | 1.250 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1128.63; 1318.04] | J/mol×K | [794.57; 1012.63] | 
|
| Cp,gas | 1128.63 | J/mol×K | 794.57 | Joback Calculated Property |
| Cp,gas | 1159.79 | J/mol×K | 830.91 | Joback Calculated Property |
| Cp,gas | 1190.65 | J/mol×K | 867.26 | Joback Calculated Property |
| Cp,gas | 1221.55 | J/mol×K | 903.60 | Joback Calculated Property |
| Cp,gas | 1252.85 | J/mol×K | 939.95 | Joback Calculated Property |
| Cp,gas | 1284.89 | J/mol×K | 976.29 | Joback Calculated Property |
| Cp,gas | 1318.04 | J/mol×K | 1012.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Perhydrophenanthrene, 1B-(3-methylpentyl)-2A,4bB,8,8,10aB-pentamethyl.
Sources
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