- InChI
- InChI=1S/C29H47ClO2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-27(31)18-30)13-15-28(21,4)26(23)14-16-29(24,25)5/h9,19-20,22-26H,6-8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,28+,29-/m0/s1
- InChI Key
- XUXXPLDKUZSGKH-FOBBRWMUSA-N
- Formula
- C29H47ClO2
- SMILES
-
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC
(=O)CCl)CCC4(C)C3CCC12C - Molecular Weight1
- 463.13
- CAS
- 3464-50-4
- Other Names
-
- Cholest-5-en-3-ol (3«beta»)-, chloroacetate
- 3Beta-chloroacetoxycholest-5-ene
- 3«beta»-(Chloroacetoxy)cholest-5-ene
- cholest-5-ene-3-«beta»-yl chloroacetate
- 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).
- 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° | 111.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -636.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.15 | kJ/mol | Joback Calculated Property |
| log10WS | -8.59 | Crippen Calculated Property | |
| logPoct/wat | 8.178 | Crippen Calculated Property | |
| McVol | 391.410 | ml/mol | McGowan Calculated Property |
| Pc | 907.24 | kPa | Joback Calculated Property |
| Tboil | 1014.68 | K | Joback Calculated Property |
| Tc | 1248.99 | K | Joback Calculated Property |
| Tfus | 591.19 | K | Joback Calculated Property |
| Vc | 1.488 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1472.87; 1693.96] | J/mol×K | [1014.68; 1248.99] | 
|
| Cp,gas | 1472.87 | J/mol×K | 1014.68 | Joback Calculated Property |
| Cp,gas | 1506.26 | J/mol×K | 1053.73 | Joback Calculated Property |
| Cp,gas | 1540.55 | J/mol×K | 1092.78 | Joback Calculated Property |
| Cp,gas | 1576.10 | J/mol×K | 1131.84 | Joback Calculated Property |
| Cp,gas | 1613.28 | J/mol×K | 1170.89 | Joback Calculated Property |
| Cp,gas | 1652.44 | J/mol×K | 1209.94 | Joback Calculated Property |
| Cp,gas | 1693.96 | J/mol×K | 1248.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cholesteryl chloroacetate.
Sources
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