- InChI
- InChI=1S/C30H52/c1-8-20(2)21-13-17-28(5)24(21)15-19-30(7)26(28)12-11-25-22-10-9-16-27(3,4)23(22)14-18-29(25,30)6/h20-26H,8-19H2,1-7H3/t20-,21+,22?,23?,24+,25?,26?,28-,29+,30+/m1/s1
- InChI Key
- WQHKTMBFSRNFHE-QZSUUGAZSA-N
- Formula
- C30H52
- SMILES
-
CCC(C)C1CCC2(C)C1CCC1(C)C2CCC2
C3CCCC(C)(C)C3CCC21C - Molecular Weight1
- 412.73
- 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° | 369.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -381.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.43 | kJ/mol | Joback Calculated Property |
| log10WS | -9.20 | Crippen Calculated Property | |
| logPoct/wat | 9.134 | Crippen Calculated Property | |
| McVol | 379.260 | ml/mol | McGowan Calculated Property |
| Pc | 932.35 | kPa | Joback Calculated Property |
| Inp | 3127.00 | NIST | |
| Tboil | 922.29 | K | Joback Calculated Property |
| Tc | 1160.47 | K | Joback Calculated Property |
| Tfus | 555.84 | K | Joback Calculated Property |
| Vc | 1.433 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1453.99; 1754.32] | J/mol×K | [922.29; 1160.47] | 
|
| Cp,gas | 1453.99 | J/mol×K | 922.29 | Joback Calculated Property |
| Cp,gas | 1496.72 | J/mol×K | 961.99 | Joback Calculated Property |
| Cp,gas | 1541.52 | J/mol×K | 1001.68 | Joback Calculated Property |
| Cp,gas | 1589.04 | J/mol×K | 1041.38 | Joback Calculated Property |
| Cp,gas | 1639.92 | J/mol×K | 1081.08 | Joback Calculated Property |
| Cp,gas | 1694.79 | J/mol×K | 1120.78 | Joback Calculated Property |
| Cp,gas | 1754.32 | J/mol×K | 1160.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to C31-25-Norhopane, 17aH, 21bH, 22S.
Sources
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