- InChI
- InChI=1S/C17H21F3O4/c1-2-3-11-23-15(21)5-4-6-16(22)24-12-13-7-9-14(10-8-13)17(18,19)20/h7-10H,2-6,11-12H2,1H3
- InChI Key
- UMFTVQYRFPQJQD-UHFFFAOYSA-N
- Formula
- C17H21F3O4
- SMILES
-
CCCCOC(=O)CCCC(=O)OCc1ccc(C(F)
(F)F)cc1 - Molecular Weight1
- 346.34
- 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° | -854.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1255.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.94 | kJ/mol | Joback Calculated Property |
| log10WS | -4.95 | Crippen Calculated Property | |
| logPoct/wat | 4.262 | Crippen Calculated Property | |
| McVol | 246.820 | ml/mol | McGowan Calculated Property |
| Pc | 1528.27 | kPa | Joback Calculated Property |
| Inp | 2213.00 | NIST | |
| Tboil | 767.18 | K | Joback Calculated Property |
| Tc | 957.59 | K | Joback Calculated Property |
| Tfus | 468.80 | K | Joback Calculated Property |
| Vc | 0.971 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [729.19; 800.66] | J/mol×K | [767.18; 957.59] | 
|
| Cp,gas | 729.19 | J/mol×K | 767.18 | Joback Calculated Property |
| Cp,gas | 743.32 | J/mol×K | 798.92 | Joback Calculated Property |
| Cp,gas | 756.53 | J/mol×K | 830.65 | Joback Calculated Property |
| Cp,gas | 768.84 | J/mol×K | 862.39 | Joback Calculated Property |
| Cp,gas | 780.28 | J/mol×K | 894.12 | Joback Calculated Property |
| Cp,gas | 790.87 | J/mol×K | 925.86 | Joback Calculated Property |
| Cp,gas | 800.66 | J/mol×K | 957.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, butyl 4-(trifluoromethyl)benzyl ester.
Sources
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