- InChI
- InChI=1S/C22H29F15O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-39-15(38)16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)37/h2-14H2,1H3
- InChI Key
- NOKXIZFPRNDELA-UHFFFAOYSA-N
- Formula
- C22H29F15O2
- SMILES
-
CCCCCCCCCCCCCCOC(=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
- 610.44
- 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° | -3001.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3745.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.39 | kJ/mol | Joback Calculated Property |
| log10WS | -10.44 | Crippen Calculated Property | |
| logPoct/wat | 9.605 | Crippen Calculated Property | |
| McVol | 354.830 | ml/mol | McGowan Calculated Property |
| Pc | 683.14 | kPa | Joback Calculated Property |
| Inp | 1819.00 | NIST | |
| Tboil | 745.49 | K | Joback Calculated Property |
| Tc | 915.01 | K | Joback Calculated Property |
| Tfus | 435.65 | K | Joback Calculated Property |
| Vc | 1.484 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1152.98; 1242.60] | J/mol×K | [745.49; 915.01] | 
|
| Cp,gas | 1152.98 | J/mol×K | 745.49 | Joback Calculated Property |
| Cp,gas | 1170.34 | J/mol×K | 773.74 | Joback Calculated Property |
| Cp,gas | 1186.60 | J/mol×K | 802.00 | Joback Calculated Property |
| Cp,gas | 1201.84 | J/mol×K | 830.25 | Joback Calculated Property |
| Cp,gas | 1216.19 | J/mol×K | 858.50 | Joback Calculated Property |
| Cp,gas | 1229.74 | J/mol×K | 886.76 | Joback Calculated Property |
| Cp,gas | 1242.60 | J/mol×K | 915.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecafluorooctanoic acid, tetradecyl ester.
Sources
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