- InChI
- InChI=1S/C16H13F9O4/c17-9-3-1-4-10(7-9)29-12(27)6-2-5-11(26)28-8-14(20,21)16(24,25)15(22,23)13(18)19/h1,3-4,7,13H,2,5-6,8H2
- InChI Key
- CWTWUJNSRFMKNC-UHFFFAOYSA-N
- Formula
- C16H13F9O4
- SMILES
-
O=C(CCCC(=O)Oc1cccc(F)c1)OCC(F
)(F)C(F)(F)C(F)(F)C(F)F - Molecular Weight1
- 440.26
- 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° | -2028.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2434.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.83 | kJ/mol | Joback Calculated Property |
| log10WS | -5.58 | Crippen Calculated Property | |
| logPoct/wat | 4.616 | Crippen Calculated Property | |
| McVol | 243.350 | ml/mol | McGowan Calculated Property |
| Pc | 1386.08 | kPa | Joback Calculated Property |
| Inp | [1816.00; 1816.00] |
|
|
| Inp | 1816.00 | NIST | |
| Inp | 1816.00 | NIST | |
| Tboil | 733.02 | K | Joback Calculated Property |
| Tc | 908.43 | K | Joback Calculated Property |
| Tfus | 450.91 | K | Joback Calculated Property |
| Vc | 0.995 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [725.73; 785.09] | J/mol×K | [733.02; 908.43] |
|
| Cp,gas | 725.73 | J/mol×K | 733.02 | Joback Calculated Property |
| Cp,gas | 737.57 | J/mol×K | 762.26 | Joback Calculated Property |
| Cp,gas | 748.56 | J/mol×K | 791.49 | Joback Calculated Property |
| Cp,gas | 758.76 | J/mol×K | 820.73 | Joback Calculated Property |
| Cp,gas | 768.22 | J/mol×K | 849.96 | Joback Calculated Property |
| Cp,gas | 776.98 | J/mol×K | 879.20 | Joback Calculated Property |
| Cp,gas | 785.09 | J/mol×K | 908.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-fluorophenyl ester.
Sources
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