- InChI
- InChI=1S/C31H57F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-38-29(37)30(32,33)31(34,35)36/h2-28H2,1H3
- InChI Key
- MGPJOTUWJUFUCV-UHFFFAOYSA-N
- Formula
- C31H57F5O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC
(=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 556.78
- Other Names
-
- Octacosyl 2,2,3,3,3-pentafluoropropanoate
- 1-Octacosanol, pentafluoropropionate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -992.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1926.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 79.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.08 | kJ/mol | Joback Calculated Property |
| log10WS | -12.64 | Crippen Calculated Property | |
| logPoct/wat | 11.890 | Crippen Calculated Property | |
| McVol | 463.940 | ml/mol | McGowan Calculated Property |
| Pc | 532.13 | kPa | Joback Calculated Property |
| Inp | 2965.30 | NIST | |
| Tboil | 974.86 | K | Joback Calculated Property |
| Tc | 1234.96 | K | Joback Calculated Property |
| Tfus | 519.08 | K | Joback Calculated Property |
| Vc | 1.863 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1647.80; 1791.80] | J/mol×K | [974.86; 1234.96] | 
|
| Cp,gas | 1647.80 | J/mol×K | 974.86 | Joback Calculated Property |
| Cp,gas | 1676.08 | J/mol×K | 1018.21 | Joback Calculated Property |
| Cp,gas | 1702.34 | J/mol×K | 1061.56 | Joback Calculated Property |
| Cp,gas | 1726.82 | J/mol×K | 1104.91 | Joback Calculated Property |
| Cp,gas | 1749.74 | J/mol×K | 1148.26 | Joback Calculated Property |
| Cp,gas | 1771.32 | J/mol×K | 1191.61 | Joback Calculated Property |
| Cp,gas | 1791.80 | J/mol×K | 1234.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octacosyl pentafluoropropionate.
Sources
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