- InChI
- InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h14,19-24,26,30H,8-13,15-18H2,1-7H3/t20-,21+,22-,23+,24+,26+,28-,29-/m0/s1
- InChI Key
- DASOUCLGLBPXLC-UTYNOFFGSA-N
- Formula
- C29H50O
- SMILES
-
CC(C)CCCC(C)C1CCC2C3CC=C4C(C)(
C)C(O)CCC4(C)C3CCC12C - Molecular Weight1
- 414.71
- CAS
- 1253-88-9
- Other Names
-
- Cholest-5-en-3«beta»-ol, 4,4-dimethyl-
- 4,4-Dimethylcholest-5-enol
- 4,4-Dimethylcholesterol
- 4,4-Dimethylcholest-5-en-3-«beta»-ol
- 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° | 207.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -533.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.83 | kJ/mol | Joback Calculated Property |
| log10WS | -8.59 | Crippen Calculated Property | |
| logPoct/wat | 8.025 | Crippen Calculated Property | |
| McVol | 377.600 | ml/mol | McGowan Calculated Property |
| Pc | 961.48 | kPa | Joback Calculated Property |
| Inp | [3260.00; 3260.00] |
|
|
| Inp | 3260.00 | NIST | |
| Inp | 3260.00 | NIST | |
| Tboil | 988.71 | K | Joback Calculated Property |
| Tc | 1214.81 | K | Joback Calculated Property |
| Tfus | 569.59 | K | Joback Calculated Property |
| Vc | 1.431 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1466.17; 1728.44] | J/mol×K | [988.71; 1214.81] |
|
| Cp,gas | 1466.17 | J/mol×K | 988.71 | Joback Calculated Property |
| Cp,gas | 1504.00 | J/mol×K | 1026.39 | Joback Calculated Property |
| Cp,gas | 1543.61 | J/mol×K | 1064.08 | Joback Calculated Property |
| Cp,gas | 1585.43 | J/mol×K | 1101.76 | Joback Calculated Property |
| Cp,gas | 1629.88 | J/mol×K | 1139.44 | Joback Calculated Property |
| Cp,gas | 1677.41 | J/mol×K | 1177.13 | Joback Calculated Property |
| Cp,gas | 1728.44 | J/mol×K | 1214.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cholest-5-en-3-ol, 4,4-dimethyl-, (3«beta»)-.
Sources
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