- InChI
- InChI=1S/C30H47F5O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(37-26(36)29(31,32)30(33,34)35)13-15-27(20,4)25(22)14-16-28(23,24)5/h18-25H,6-17H2,1-5H3
- InChI Key
- IPXMWSYJBPUDBR-UHFFFAOYSA-N
- Formula
- C30H47F5O2
- SMILES
-
CC(C)CCCC(C)C1CCC2C3CCC4CC(OC(
=O)C(F)(F)C(F)(F)F)CCC4(C)C3CC C12C - Molecular Weight1
- 534.68
- 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 | 0.7303 | Relay (1.0) Calculated Property | |
| ΔfG° | -864.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1778.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.217 | Crippen Calculated Property | |
| McVol | 406.410 | ml/mol | McGowan Calculated Property |
| Pc | 763.10 | kPa | Joback Calculated Property |
| Inp | 2901.40 | NIST | |
| Tboil | 694.58 | K | Relay (1.0) Calculated Property |
| Tc | 908.18 | K | Relay (1.0) Calculated Property |
| Tfus | 376.34 | K | Relay (1.0) Calculated Property |
| Vc | 1.481 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1566.90; 1773.74] | J/mol×K | [981.21; 1202.37] | 
|
| Cp,gas | 1566.90 | J/mol×K | 981.21 | Joback Calculated Property |
| Cp,gas | 1598.74 | J/mol×K | 1018.07 | Joback Calculated Property |
| Cp,gas | 1631.17 | J/mol×K | 1054.93 | Joback Calculated Property |
| Cp,gas | 1664.52 | J/mol×K | 1091.79 | Joback Calculated Property |
| Cp,gas | 1699.16 | J/mol×K | 1128.65 | Joback Calculated Property |
| Cp,gas | 1735.45 | J/mol×K | 1165.51 | Joback Calculated Property |
| Cp,gas | 1773.74 | J/mol×K | 1202.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5«beta»-Cholestan-3«alpha»-ol, pentafluoropropionate.
Sources
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