- InChI
- InChI=1S/C29H50O2/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/h19-20,22-27H,7-18H2,1-6H3/t20?,22-,23+,24?,25?,26?,27?,28?,29?/m0/s1
- InChI Key
- PHLIUSDPFOUISN-FJHKFUNJSA-N
- Formula
- C29H50O2
- SMILES
-
CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C
)C(C(C)CCCC(C)C)CCC32)C1 - Molecular Weight1
- 430.71
- CAS
- 4947-63-1
- Other Names
-
- Coprostanol acetate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6934 | Relay (1.0) Calculated Property | |
| ΔfG° | 95.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -775.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.039 | Crippen Calculated Property | |
| McVol | 383.470 | ml/mol | McGowan Calculated Property |
| Pc | 898.02 | kPa | Joback Calculated Property |
| Inp | [3125.00; 3193.00] |
|
|
| Inp | 3193.00 | NIST | |
| Inp | 3125.00 | NIST | |
| Tboil | 691.20 | K | Relay (1.0) Calculated Property |
| Tc | 965.47 | K | Relay (1.0) Calculated Property |
| Tfus | 385.52 | K | Relay (1.0) Calculated Property |
| Vc | 1.379 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1465.89; 1673.10] | J/mol×K | [968.44; 1195.48] |
|
| Cp,gas | 1465.89 | J/mol×K | 968.44 | Joback Calculated Property |
| Cp,gas | 1498.65 | J/mol×K | 1006.28 | Joback Calculated Property |
| Cp,gas | 1531.69 | J/mol×K | 1044.12 | Joback Calculated Property |
| Cp,gas | 1565.33 | J/mol×K | 1081.96 | Joback Calculated Property |
| Cp,gas | 1599.90 | J/mol×K | 1119.80 | Joback Calculated Property |
| Cp,gas | 1635.71 | J/mol×K | 1157.64 | Joback Calculated Property |
| Cp,gas | 1673.10 | J/mol×K | 1195.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cholestanol acetate.
Sources
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