- InChI
- InChI=1S/C31H52O2/c1-7-9-29(32)33-24-16-18-30(5)23(20-24)12-13-25-27-15-14-26(22(4)11-8-10-21(2)3)31(27,6)19-17-28(25)30/h12,21-22,24-28H,7-11,13-20H2,1-6H3
- InChI Key
- CKDZWMVGDHGMFR-UHFFFAOYSA-N
- Formula
- C31H52O2
- SMILES
-
CCCC(=O)OC1CCC2(C)C(=CCC3C2CCC
2(C)C(C(C)CCCC(C)C)CCC32)C1 - Molecular Weight1
- 456.74
- CAS
- 137036-79-4
- Other Names
-
- Cholest-5-ene, 3-butanoyloxy-
- 3-(Butyryloxy)cholest-5-ene
- Cholest-5-en-3-ol, butanoate
- Cholesterol butanoate
- 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 | 0.7481 | Relay (... Calculated Property | |
| ΔfG° | 140.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -720.49 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 45.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 138.03 | kJ/mol | Relay (... Calculated Property |
| IE | 8.52 | eV | Relay (... Calculated Property |
| log10WS | -8.02 | Relay (... Calculated Property | |
| logPoct/wat | 8.740 | Crippen Calculated Property | |
| McVol | 407.350 | ml/mol | McGowan Calculated Property |
| Pc | 828.11 | kPa | Joback Calculated Property |
| Inp | [3361.00; 3391.00] |
|
|
| Inp | 3391.00 | NIST | |
| Inp | 3361.00 | NIST | |
| Inp | 3391.00 | NIST | |
| Tboil | 695.28 | K | Relay (... Calculated Property |
| Tc | 971.51 | K | Relay (... Calculated Property |
| Tfus | 373.03 | K | Relay (... Calculated Property |
| Vc | 1.457 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1575.99; 1806.30] | J/mol×K | [1023.01; 1255.41] |
|
| Cp,gas | 1575.99 | J/mol×K | 1023.01 | Joback Calculated Property |
| Cp,gas | 1611.10 | J/mol×K | 1061.74 | Joback Calculated Property |
| Cp,gas | 1647.03 | J/mol×K | 1100.48 | Joback Calculated Property |
| Cp,gas | 1684.16 | J/mol×K | 1139.21 | Joback Calculated Property |
| Cp,gas | 1722.84 | J/mol×K | 1177.95 | Joback Calculated Property |
| Cp,gas | 1763.43 | J/mol×K | 1216.68 | Joback Calculated Property |
| Cp,gas | 1806.30 | J/mol×K | 1255.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cholest-5-ene, 3-(1-oxobuthoxy)-.
Sources
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