- InChI
- InChI=1S/C32H56/c1-9-11-22(2)23-14-19-29(5)24(23)15-20-31(7)26(29)12-13-27-30(6)18-10-17-28(3,4)25(30)16-21-32(27,31)8/h22-27H,9-21H2,1-8H3/t22?,23-,24?,25?,26?,27?,29-,30?,31?,32?/m1/s1
- InChI Key
- OWRSREGIRFCWIJ-UJRAVCPWSA-N
- Formula
- C32H56
- SMILES
-
CCCC(C)C1CCC2(C)C1CCC1(C)C2CCC
2C3(C)CCCC(C)(C)C3CCC21C - Molecular Weight1
- 440.79
- 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° | 381.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -407.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.73 | kJ/mol | Joback Calculated Property |
| log10WS | -10.03 | Crippen Calculated Property | |
| logPoct/wat | 9.914 | Crippen Calculated Property | |
| McVol | 407.440 | ml/mol | McGowan Calculated Property |
| Pc | 853.96 | kPa | Joback Calculated Property |
| Inp | 3312.00 | NIST | |
| Tboil | 968.29 | K | Joback Calculated Property |
| Tc | 1208.02 | K | Joback Calculated Property |
| Tfus | 602.28 | K | Joback Calculated Property |
| Vc | 1.544 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1609.29; 1994.27] | J/mol×K | [968.29; 1208.02] | 
|
| Cp,gas | 1609.29 | J/mol×K | 968.29 | Joback Calculated Property |
| Cp,gas | 1661.06 | J/mol×K | 1008.24 | Joback Calculated Property |
| Cp,gas | 1716.75 | J/mol×K | 1048.20 | Joback Calculated Property |
| Cp,gas | 1777.14 | J/mol×K | 1088.15 | Joback Calculated Property |
| Cp,gas | 1843.00 | J/mol×K | 1128.11 | Joback Calculated Property |
| Cp,gas | 1915.12 | J/mol×K | 1168.06 | Joback Calculated Property |
| Cp,gas | 1994.27 | J/mol×K | 1208.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to C32 17A,21B,22S-Hopane.
Sources
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