- InChI
- InChI=1S/C28H52/c1-8-9-10-12-21(2)13-15-23-22(3)14-16-25-27(23,6)20-17-24-26(4,5)18-11-19-28(24,25)7/h21-25H,8-20H2,1-7H3/t21-,22+,23-,24?,25?,27+,28+/m1/s1
- InChI Key
- CLWTVLJDQACLFC-RKHCOYROSA-N
- Formula
- C28H52
- SMILES
-
CCCCCC(C)CCC1C(C)CCC2C1(C)CCC1
C(C)(C)CCCC12C - Molecular Weight1
- 388.71
- 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° | 256.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -474.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.44 | kJ/mol | Joback Calculated Property |
| log10WS | -9.29 | Crippen Calculated Property | |
| logPoct/wat | 9.278 | Crippen Calculated Property | |
| McVol | 372.800 | ml/mol | McGowan Calculated Property |
| Pc | 875.32 | kPa | Joback Calculated Property |
| Inp | 2806.00 | NIST | |
| Tboil | 863.21 | K | Joback Calculated Property |
| Tc | 1076.62 | K | Joback Calculated Property |
| Tfus | 481.28 | K | Joback Calculated Property |
| Vc | 1.419 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1331.86; 1539.63] | J/mol×K | [863.21; 1076.62] | 
|
| Cp,gas | 1331.86 | J/mol×K | 863.21 | Joback Calculated Property |
| Cp,gas | 1364.94 | J/mol×K | 898.78 | Joback Calculated Property |
| Cp,gas | 1398.19 | J/mol×K | 934.35 | Joback Calculated Property |
| Cp,gas | 1431.95 | J/mol×K | 969.92 | Joback Calculated Property |
| Cp,gas | 1466.55 | J/mol×K | 1005.49 | Joback Calculated Property |
| Cp,gas | 1502.33 | J/mol×K | 1041.05 | Joback Calculated Property |
| Cp,gas | 1539.63 | J/mol×K | 1076.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Perhydrophenanthrene, 1B-(3S-methyloctyl)-2A,4bB,8,8,10aB-pentamethyl.
Sources
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