- InChI
- InChI=1S/C31H54/c1-9-21(2)22-13-18-28(5)23(22)14-19-30(7)25(28)11-12-26-29(6)17-10-16-27(3,4)24(29)15-20-31(26,30)8/h21-26H,9-20H2,1-8H3/t21?,22-,23+,24?,25?,26?,28+,29+,30-,31-/m0/s1
- InChI Key
- QFBGIDMRCNNMIW-OFQVYJJRSA-N
- Formula
- C31H54
- SMILES
-
CCC(C)C1CCC2(C)C1CCC1(C)C2CCC2
C3(C)CCCC(C)(C)C3CCC21C - Molecular Weight1
- 426.76
- 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° | 372.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -386.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.51 | kJ/mol | Joback Calculated Property |
| log10WS | -9.61 | Crippen Calculated Property | |
| logPoct/wat | 9.524 | Crippen Calculated Property | |
| McVol | 393.350 | ml/mol | McGowan Calculated Property |
| Pc | 903.97 | kPa | Joback Calculated Property |
| Inp | 3303.00 | NIST | |
| Tboil | 945.41 | K | Joback Calculated Property |
| Tc | 1186.91 | K | Joback Calculated Property |
| Tfus | 591.01 | K | Joback Calculated Property |
| Vc | 1.488 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1530.77; 1896.43] | J/mol×K | [945.41; 1186.91] | 
|
| Cp,gas | 1530.77 | J/mol×K | 945.41 | Joback Calculated Property |
| Cp,gas | 1580.09 | J/mol×K | 985.66 | Joback Calculated Property |
| Cp,gas | 1633.01 | J/mol×K | 1025.91 | Joback Calculated Property |
| Cp,gas | 1690.31 | J/mol×K | 1066.16 | Joback Calculated Property |
| Cp,gas | 1752.79 | J/mol×K | 1106.41 | Joback Calculated Property |
| Cp,gas | 1821.23 | J/mol×K | 1146.66 | Joback Calculated Property |
| Cp,gas | 1896.43 | J/mol×K | 1186.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to C31-Hopane, 17bH, 21bH.
Sources
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