- InChI
- InChI=1S/C20H27F3O4/c1-4-9-16(14(2)3)26-17(24)12-8-13-18(25)27-19(20(21,22)23)15-10-6-5-7-11-15/h5-7,10-11,14,16,19H,4,8-9,12-13H2,1-3H3
- InChI Key
- NSLJNSPKYXPQJU-UHFFFAOYSA-N
- Formula
- C20H27F3O4
- SMILES
-
CCCC(OC(=O)CCCC(=O)OC(c1ccccc1
)C(F)(F)F)C(C)C - Molecular Weight1
- 388.42
- 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 | 0.8162 | Relay (1.0) Calculated Property | |
| ΔfG° | -826.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1510.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.371 | Crippen Calculated Property | |
| McVol | 289.090 | ml/mol | McGowan Calculated Property |
| Pc | 1269.16 | kPa | Joback Calculated Property |
| Inp | 2136.00 | NIST | |
| Tboil | 606.92 | K | Relay (1.0) Calculated Property |
| Tc | 782.51 | K | Relay (1.0) Calculated Property |
| Tfus | 285.35 | K | Relay (1.0) Calculated Property |
| Vc | 1.037 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [903.19; 980.12] | J/mol×K | [829.52; 1026.11] | 
|
| Cp,gas | 903.19 | J/mol×K | 829.52 | Joback Calculated Property |
| Cp,gas | 918.64 | J/mol×K | 862.28 | Joback Calculated Property |
| Cp,gas | 932.99 | J/mol×K | 895.05 | Joback Calculated Property |
| Cp,gas | 946.26 | J/mol×K | 927.81 | Joback Calculated Property |
| Cp,gas | 958.51 | J/mol×K | 960.58 | Joback Calculated Property |
| Cp,gas | 969.78 | J/mol×K | 993.34 | Joback Calculated Property |
| Cp,gas | 980.12 | J/mol×K | 1026.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-methylhex-3-yl 1-phenyl-2,2,2-trifluoroethyl ester.
Sources
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