- InChI
- InChI=1S/C30H52O2/c1-19(2)9-8-10-20(3)24-13-14-26-23-11-12-25-21(4)28(32-22(5)31)16-18-30(25,7)27(23)15-17-29(24,26)6/h19-21,23-28H,8-18H2,1-7H3/t20-,21+,23+,24-,25+,26+,27+,28-,29-,30+/m0/s1
- InChI Key
- WHFNJZOJPBXDDI-FBDHWHPWSA-N
- Formula
- C30H52O2
- SMILES
-
CC(=O)OC1CCC2(C)C(CCC3C4CCC(C(
C)CCCC(C)C)C4(C)CCC32)C1C - Molecular Weight1
- 444.73
- CAS
- 20997-65-3
- Other Names
-
- 4-Methylcholestan-3-yl acetate, (3«alpha»,4«alpha»,5«alpha»)-
- 4A-Methylcholestanol acetate
- 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° | 95.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -728.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.42 | kJ/mol | Joback Calculated Property |
| log10WS | -8.52 | Crippen Calculated Property | |
| logPoct/wat | 8.285 | Crippen Calculated Property | |
| McVol | 397.560 | ml/mol | McGowan Calculated Property |
| Pc | 832.42 | kPa | Joback Calculated Property |
| Inp | [3246.00; 3246.00] |
|
|
| Inp | 3246.00 | NIST | |
| Inp | 3246.00 | NIST | |
| Tboil | 986.65 | K | Joback Calculated Property |
| Tc | 1214.35 | K | Joback Calculated Property |
| Tfus | 550.78 | K | Joback Calculated Property |
| Vc | 1.506 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1539.59; 1752.96] | J/mol×K | [986.65; 1214.35] |
|
| Cp,gas | 1539.59 | J/mol×K | 986.65 | Joback Calculated Property |
| Cp,gas | 1573.35 | J/mol×K | 1024.60 | Joback Calculated Property |
| Cp,gas | 1607.39 | J/mol×K | 1062.55 | Joback Calculated Property |
| Cp,gas | 1642.05 | J/mol×K | 1100.50 | Joback Calculated Property |
| Cp,gas | 1677.65 | J/mol×K | 1138.45 | Joback Calculated Property |
| Cp,gas | 1714.51 | J/mol×K | 1176.40 | Joback Calculated Property |
| Cp,gas | 1752.96 | J/mol×K | 1214.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5«alpha»-Cholestan-3«alpha»-ol, 4«alpha»-methyl-, acetate.
Sources
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