- InChI
- InChI=1S/C30H52O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h15,20-22,24-26,31H,9-14,16-19H2,1-8H3/t21?,22?,24?,25-,26-,28?,29?,30-/m1/s1
- InChI Key
- XHMHQMBOUUDXGO-RLMNQULKSA-N
- Formula
- C30H52O
- SMILES
-
CC(C)CCCC(C)C1CCC2(C)C3CCC4C(C
)(CCC(O)C4(C)C)C3=CCC12C - Molecular Weight1
- 428.73
- 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° | 210.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -539.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.90 | kJ/mol | Joback Calculated Property |
| log10WS | -9.01 | Crippen Calculated Property | |
| logPoct/wat | 8.415 | Crippen Calculated Property | |
| McVol | 391.690 | ml/mol | McGowan Calculated Property |
| Pc | 931.78 | kPa | Joback Calculated Property |
| Inp | [3285.00; 3285.00] |
|
|
| Inp | 3285.00 | NIST | |
| Inp | 3285.00 | NIST | |
| Tboil | 1011.83 | K | Joback Calculated Property |
| Tc | 1242.27 | K | Joback Calculated Property |
| Tfus | 604.76 | K | Joback Calculated Property |
| Vc | 1.484 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1549.85; 1886.07] | J/mol×K | [1011.83; 1242.27] |
|
| Cp,gas | 1549.85 | J/mol×K | 1011.83 | Joback Calculated Property |
| Cp,gas | 1595.82 | J/mol×K | 1050.24 | Joback Calculated Property |
| Cp,gas | 1645.07 | J/mol×K | 1088.64 | Joback Calculated Property |
| Cp,gas | 1698.15 | J/mol×K | 1127.05 | Joback Calculated Property |
| Cp,gas | 1755.63 | J/mol×K | 1165.46 | Joback Calculated Property |
| Cp,gas | 1818.09 | J/mol×K | 1203.86 | Joback Calculated Property |
| Cp,gas | 1886.07 | J/mol×K | 1242.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,4,14-«alpha»-Trimethyl-5-«alpha»-cholest-9(11)-en-3-«beta»-ol.
Sources
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