- 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/h20-22,25-26,31H,9-19H2,1-8H3/t21?,22-,25+,26+,28-,29-,30+/m0/s1
- InChI Key
- MBZYKEVPFYHDOH-BZBIHAHBSA-N
- Formula
- C30H52O
- SMILES
-
CC(C)CCCC(C)C1CCC2(C)C3=C(CCC1
2C)C1(C)CCC(O)C(C)(C)C1CC3 - 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° | 208.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -530.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.87 | kJ/mol | Joback Calculated Property |
| log10WS | -9.25 | Crippen Calculated Property | |
| logPoct/wat | 8.559 | Crippen Calculated Property | |
| McVol | 391.690 | ml/mol | McGowan Calculated Property |
| Pc | 942.10 | kPa | Joback Calculated Property |
| Inp | [3265.00; 3265.00] |
|
|
| Inp | 3265.00 | NIST | |
| Inp | 3265.00 | NIST | |
| Tboil | 1021.48 | K | Joback Calculated Property |
| Tc | 1253.56 | K | Joback Calculated Property |
| Tfus | 621.52 | K | Joback Calculated Property |
| Vc | 1.486 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1551.44; 1898.99] | J/mol×K | [1021.48; 1253.56] |
|
| Cp,gas | 1551.44 | J/mol×K | 1021.48 | Joback Calculated Property |
| Cp,gas | 1598.60 | J/mol×K | 1060.16 | Joback Calculated Property |
| Cp,gas | 1649.29 | J/mol×K | 1098.84 | Joback Calculated Property |
| Cp,gas | 1704.10 | J/mol×K | 1137.52 | Joback Calculated Property |
| Cp,gas | 1763.60 | J/mol×K | 1176.20 | Joback Calculated Property |
| Cp,gas | 1828.37 | J/mol×K | 1214.88 | Joback Calculated Property |
| Cp,gas | 1898.99 | J/mol×K | 1253.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,4,14-«alpha»-Trimethyl-5-«alpha»-cholest-8-en-3-«beta»-ol.
Sources
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