- InChI
- InChI=1S/C22H17F3O4/c23-17-10-11-18(22(25)21(17)24)29-20(27)7-3-6-19(26)28-13-14-8-9-15-4-1-2-5-16(15)12-14/h1-2,4-5,8-12H,3,6-7,13H2
- InChI Key
- SYLLXGPNGWWROY-UHFFFAOYSA-N
- Formula
- C22H17F3O4
- SMILES
-
O=C(CCCC(=O)Oc1ccc(F)c(F)c1F)O
Cc1ccc2ccccc2c1 - Molecular Weight1
- 402.36
- 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 | 0.9196 | Relay (1.0) Calculated Property | |
| ΔfG° | -624.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -973.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.076 | Crippen Calculated Property | |
| McVol | 274.050 | ml/mol | McGowan Calculated Property |
| Pc | 1567.23 | kPa | Joback Calculated Property |
| Inp | 2954.00 | NIST | |
| Tboil | 711.89 | K | Relay (1.0) Calculated Property |
| Tc | 971.79 | K | Relay (1.0) Calculated Property |
| Tfus | 345.44 | K | Relay (1.0) Calculated Property |
| Vc | 1.007 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [834.34; 887.37] | J/mol×K | [945.41; 1169.07] | 
|
| Cp,gas | 834.34 | J/mol×K | 945.41 | Joback Calculated Property |
| Cp,gas | 845.68 | J/mol×K | 982.69 | Joback Calculated Property |
| Cp,gas | 855.95 | J/mol×K | 1019.96 | Joback Calculated Property |
| Cp,gas | 865.20 | J/mol×K | 1057.24 | Joback Calculated Property |
| Cp,gas | 873.49 | J/mol×K | 1094.51 | Joback Calculated Property |
| Cp,gas | 880.86 | J/mol×K | 1131.79 | Joback Calculated Property |
| Cp,gas | 887.37 | J/mol×K | 1169.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, naphth-2-ylmethyl 2,3,4-trifluorophenyl ester.
Sources
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