- InChI
- InChI=1S/C24H33F15O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-41-17(40)18(25,26)19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)39/h2-16H2,1H3
- InChI Key
- MPBJRBHQFLLKBY-UHFFFAOYSA-N
- Formula
- C24H33F15O2
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(F)(F)C
(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F )(F)C(F)(F)F - Molecular Weight1
- 638.49
- 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 | 1.1177 | Relay (... Calculated Property | |
| ΔfG° | -2984.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3827.10 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 55.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.28 | kJ/mol | Relay (... Calculated Property |
| IE | 10.55 | eV | Relay (... Calculated Property |
| log10WS | -10.44 | Relay (... Calculated Property | |
| logPoct/wat | 10.385 | Crippen Calculated Property | |
| McVol | 383.010 | ml/mol | McGowan Calculated Property |
| Pc | 619.41 | kPa | Joback Calculated Property |
| Inp | 2000.00 | NIST | |
| Tboil | 603.67 | K | Relay (... Calculated Property |
| Tc | 696.34 | K | Relay (... Calculated Property |
| Tfus | 310.99 | K | Relay (... Calculated Property |
| Vc | 1.501 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1272.73; 1371.08] | J/mol×K | [791.25; 977.01] | 
|
| Cp,gas | 1272.73 | J/mol×K | 791.25 | Joback Calculated Property |
| Cp,gas | 1291.68 | J/mol×K | 822.21 | Joback Calculated Property |
| Cp,gas | 1309.42 | J/mol×K | 853.17 | Joback Calculated Property |
| Cp,gas | 1326.08 | J/mol×K | 884.13 | Joback Calculated Property |
| Cp,gas | 1341.82 | J/mol×K | 915.09 | Joback Calculated Property |
| Cp,gas | 1356.77 | J/mol×K | 946.05 | Joback Calculated Property |
| Cp,gas | 1371.08 | J/mol×K | 977.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecafluorooctanoic acid, hexadecyl ester.
Sources
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