- InChI
- InChI=1S/C21H18F6O4/c22-20(23,24)16-8-3-1-6-14(16)12-30-18(28)10-5-11-19(29)31-13-15-7-2-4-9-17(15)21(25,26)27/h1-4,6-9H,5,10-13H2
- InChI Key
- FMFTVQFWZONIII-UHFFFAOYSA-N
- Formula
- C21H18F6O4
- SMILES
-
O=C(CCCC(=O)OCc1ccccc1C(F)(F)F
)OCc1ccccc1C(F)(F)F - Molecular Weight1
- 448.36
- 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° | -1299.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1710.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.03 | kJ/mol | Joback Calculated Property |
| log10WS | -6.90 | Crippen Calculated Property | |
| logPoct/wat | 5.681 | Crippen Calculated Property | |
| McVol | 284.730 | ml/mol | McGowan Calculated Property |
| Pc | 1330.04 | kPa | Joback Calculated Property |
| Inp | 2613.00 | NIST | |
| Tboil | 884.94 | K | Joback Calculated Property |
| Tc | 1091.05 | K | Joback Calculated Property |
| Tfus | 557.01 | K | Joback Calculated Property |
| Vc | 1.129 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [883.51; 941.98] | J/mol×K | [884.94; 1091.05] | 
|
| Cp,gas | 883.51 | J/mol×K | 884.94 | Joback Calculated Property |
| Cp,gas | 895.57 | J/mol×K | 919.29 | Joback Calculated Property |
| Cp,gas | 906.60 | J/mol×K | 953.64 | Joback Calculated Property |
| Cp,gas | 916.69 | J/mol×K | 987.99 | Joback Calculated Property |
| Cp,gas | 925.90 | J/mol×K | 1022.35 | Joback Calculated Property |
| Cp,gas | 934.31 | J/mol×K | 1056.70 | Joback Calculated Property |
| Cp,gas | 941.98 | J/mol×K | 1091.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(2-(trifluoromethyl)benzyl) ester.
Sources
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