- InChI
- InChI=1S/C31H54O2/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/h21-28H,7-20H2,1-6H3
- InChI Key
- QFYCBKBNDZGFRP-UHFFFAOYSA-N
- Formula
- C31H54O2
- SMILES
-
CCCC(=O)OC1CCC2(C)C(CCC3C2CCC2
(C)C(C(C)CCCC(C)C)CCC32)C1 - Molecular Weight1
- 458.76
- 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 | 0.7720 | Relay (... Calculated Property | |
| ΔfG° | 112.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -809.21 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 45.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.67 | kJ/mol | Relay (... Calculated Property |
| IE | 9.00 | eV | Relay (... Calculated Property |
| log10WS | -8.26 | Relay (... Calculated Property | |
| logPoct/wat | 8.820 | Crippen Calculated Property | |
| McVol | 411.650 | ml/mol | McGowan Calculated Property |
| Pc | 802.97 | kPa | Joback Calculated Property |
| Inp | 2809.00 | NIST | |
| Tboil | 706.11 | K | Relay (... Calculated Property |
| Tc | 983.23 | K | Relay (... Calculated Property |
| Tfus | 368.58 | K | Relay (... Calculated Property |
| Vc | 1.486 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1609.33; 1836.56] | J/mol×K | [1014.20; 1244.64] | 
|
| Cp,gas | 1609.33 | J/mol×K | 1014.20 | Joback Calculated Property |
| Cp,gas | 1644.56 | J/mol×K | 1052.61 | Joback Calculated Property |
| Cp,gas | 1680.38 | J/mol×K | 1091.01 | Joback Calculated Property |
| Cp,gas | 1717.14 | J/mol×K | 1129.42 | Joback Calculated Property |
| Cp,gas | 1755.20 | J/mol×K | 1167.83 | Joback Calculated Property |
| Cp,gas | 1794.89 | J/mol×K | 1206.24 | Joback Calculated Property |
| Cp,gas | 1836.56 | J/mol×K | 1244.64 | Joback Calculated Property |
Similar Compounds
![Butanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-.](data:image/png;base64,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)
Find more compounds similar to 5-«beta»-cholestan-3«alpha»-ol, butyrate.
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