- InChI
- InChI=1S/C29H46O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10-11,19-20,23,25-27H,7-9,12-18H2,1-6H3/t20-,23+,25-,26+,27+,28+,29-/m0/s1
- InChI Key
- ACGNVBRAISEVDK-AYYXOLOQSA-N
- Formula
- C29H46O2
- SMILES
-
CC(=O)OC1CCC2(C)C(=CC=C3C2CCC2
(C)C3CCC2C(C)CCCC(C)C)C1 - Molecular Weight1
- 426.67
- CAS
- 1059-86-5
- Other Names
-
- Cholesta-5,7-dien-3«beta»-ol, acetate
- Cholest-5,7-dien-3«beta»-yl acetate
- Cholesta-5,7-dien-3«beta»-yl acetate
- 3«beta»-Acetoxychoesta-5,7-diene
- 7-Dehydrocholesterol acetate
- 7-Dehydrocholesteryl acetate
- Cholesta-5,7-dien-3-yl acetate, (3«beta»)-
- 7,8-Didehydrocholesterol acetate
- NSC 226869
- 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° | 151.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -554.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.03 | kJ/mol | Joback Calculated Property |
| log10WS | -8.53 | Crippen Calculated Property | |
| logPoct/wat | 7.880 | Crippen Calculated Property | |
| McVol | 374.870 | ml/mol | McGowan Calculated Property |
| Pc | 959.10 | kPa | Joback Calculated Property |
| Tboil | 986.06 | K | Joback Calculated Property |
| Tc | 1217.09 | K | Joback Calculated Property |
| Tfus | 578.79 | K | Joback Calculated Property |
| Vc | 1.425 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1399.64; 1610.13] | J/mol×K | [986.06; 1217.09] | 
|
| Cp,gas | 1399.64 | J/mol×K | 986.06 | Joback Calculated Property |
| Cp,gas | 1431.74 | J/mol×K | 1024.56 | Joback Calculated Property |
| Cp,gas | 1464.57 | J/mol×K | 1063.07 | Joback Calculated Property |
| Cp,gas | 1498.48 | J/mol×K | 1101.57 | Joback Calculated Property |
| Cp,gas | 1533.81 | J/mol×K | 1140.08 | Joback Calculated Property |
| Cp,gas | 1570.91 | J/mol×K | 1178.58 | Joback Calculated Property |
| Cp,gas | 1610.13 | J/mol×K | 1217.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cholesta-5,7-dien-3-ol, acetate, (3«beta»)-.
Sources
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