- InChI
- InChI=1S/C17H21F3O5/c1-12(2)10-23-15(21)4-3-5-16(22)24-11-13-6-8-14(9-7-13)25-17(18,19)20/h6-9,12H,3-5,10-11H2,1-2H3
- InChI Key
- IWJUQSSDYDCOAX-UHFFFAOYSA-N
- Formula
- C17H21F3O5
- SMILES
-
CC(C)COC(=O)CCCC(=O)OCc1ccc(OC
(F)(F)F)cc1 - Molecular Weight1
- 362.34
- 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 | 0.8758 | Relay (1.0) Calculated Property | |
| ΔfG° | -961.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1588.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.998 | Crippen Calculated Property | |
| McVol | 252.690 | ml/mol | McGowan Calculated Property |
| Pc | 1517.57 | kPa | Joback Calculated Property |
| Inp | 2036.00 | NIST | |
| Tboil | 601.54 | K | Relay (1.0) Calculated Property |
| Tc | 745.65 | K | Relay (1.0) Calculated Property |
| Tfus | 273.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.940 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [757.65; 826.87] | J/mol×K | [789.16; 982.22] | 
|
| Cp,gas | 757.65 | J/mol×K | 789.16 | Joback Calculated Property |
| Cp,gas | 771.60 | J/mol×K | 821.34 | Joback Calculated Property |
| Cp,gas | 784.56 | J/mol×K | 853.51 | Joback Calculated Property |
| Cp,gas | 796.55 | J/mol×K | 885.69 | Joback Calculated Property |
| Cp,gas | 807.58 | J/mol×K | 917.87 | Joback Calculated Property |
| Cp,gas | 817.69 | J/mol×K | 950.05 | Joback Calculated Property |
| Cp,gas | 826.87 | J/mol×K | 982.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isobutyl 4-(trifluoromethoxy)benzyl ester.
Sources
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