- InChI
- InChI=1S/C30H52O2/c1-7-28(31)32-23-15-17-29(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)30(26,6)18-16-27(24)29/h20-27H,7-19H2,1-6H3
- InChI Key
- BZAVPIMVSGSUNL-UHFFFAOYSA-N
- Formula
- C30H52O2
- SMILES
-
CCC(=O)OC1CCC2(C)C(CCC3C2CCC2(
C)C(C(C)CCCC(C)C)CCC32)C1 - Molecular Weight1
- 444.73
- 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 | 0.7311 | Relay (... Calculated Property | |
| ΔfG° | 103.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -781.43 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 42.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.11 | kJ/mol | Relay (... Calculated Property |
| IE | 9.06 | eV | Relay (... Calculated Property |
| log10WS | -7.97 | Relay (... Calculated Property | |
| logPoct/wat | 8.429 | Crippen Calculated Property | |
| McVol | 397.560 | ml/mol | McGowan Calculated Property |
| Pc | 848.50 | kPa | Joback Calculated Property |
| Inp | 2713.00 | NIST | |
| Tboil | 698.86 | K | Relay (... Calculated Property |
| Tc | 974.92 | K | Relay (... Calculated Property |
| Tfus | 379.05 | K | Relay (... Calculated Property |
| Vc | 1.434 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1537.08; 1753.52] | J/mol×K | [991.32; 1219.60] | 
|
| Cp,gas | 1537.08 | J/mol×K | 991.32 | Joback Calculated Property |
| Cp,gas | 1570.97 | J/mol×K | 1029.37 | Joback Calculated Property |
| Cp,gas | 1605.29 | J/mol×K | 1067.41 | Joback Calculated Property |
| Cp,gas | 1640.37 | J/mol×K | 1105.46 | Joback Calculated Property |
| Cp,gas | 1676.55 | J/mol×K | 1143.51 | Joback Calculated Property |
| Cp,gas | 1714.15 | J/mol×K | 1181.55 | Joback Calculated Property |
| Cp,gas | 1753.52 | J/mol×K | 1219.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-«beta»-cholestan-3«alpha»-ol, propionate.
Sources
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