- InChI
- InChI=1S/C13H15F3O2/c1-3-11(10-7-5-4-6-8-10)12(17)18-9(2)13(14,15)16/h4-9,11H,3H2,1-2H3
- InChI Key
- YDRHIWSKEIHPHF-UHFFFAOYSA-N
- Formula
- C13H15F3O2
- SMILES
-
CCC(C(=O)OC(C)C(F)(F)F)c1ccccc
1 - Molecular Weight1
- 260.25
- 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 | 0.5033 | Relay (1.0) Calculated Property | |
| ΔfG° | -649.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1037.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.674 | Crippen Calculated Property | |
| McVol | 183.020 | ml/mol | McGowan Calculated Property |
| Pc | 2086.93 | kPa | Joback Calculated Property |
| Inp | [1264.00; 1264.00] |
|
|
| Inp | 1264.00 | NIST | |
| Inp | 1264.00 | NIST | |
| Tboil | 498.25 | K | Relay (1.0) Calculated Property |
| Tc | 691.51 | K | Relay (1.0) Calculated Property |
| Tfus | 293.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.644 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [471.63; 548.97] | J/mol×K | [593.51; 788.14] |
|
| Cp,gas | 471.63 | J/mol×K | 593.51 | Joback Calculated Property |
| Cp,gas | 486.76 | J/mol×K | 625.95 | Joback Calculated Property |
| Cp,gas | 500.94 | J/mol×K | 658.39 | Joback Calculated Property |
| Cp,gas | 514.21 | J/mol×K | 690.83 | Joback Calculated Property |
| Cp,gas | 526.61 | J/mol×K | 723.26 | Joback Calculated Property |
| Cp,gas | 538.19 | J/mol×K | 755.70 | Joback Calculated Property |
| Cp,gas | 548.97 | J/mol×K | 788.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-phenyl-, 1,1,1-trifluoroprop-2-yl ester.
Sources
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