- InChI
- InChI=1S/C13H14F4O2/c1-2-10(9-6-4-3-5-7-9)11(18)19-8-13(16,17)12(14)15/h3-7,10,12H,2,8H2,1H3
- InChI Key
- HDDMAXKBAVFEMN-UHFFFAOYSA-N
- Formula
- C13H14F4O2
- SMILES
-
CCC(C(=O)OCC(F)(F)C(F)F)c1cccc
c1 - Molecular Weight1
- 278.24
- 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 | 0.5528 | Relay (1.0) Calculated Property | |
| ΔfG° | -844.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1172.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.624 | Crippen Calculated Property | |
| McVol | 184.790 | ml/mol | McGowan Calculated Property |
| Pc | 2003.70 | kPa | Joback Calculated Property |
| Inp | [1350.00; 1350.00] |
|
|
| Inp | 1350.00 | NIST | |
| Inp | 1350.00 | NIST | |
| Tboil | 518.92 | K | Relay (1.0) Calculated Property |
| Tc | 719.59 | K | Relay (1.0) Calculated Property |
| Tfus | 319.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.658 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [479.76; 554.01] | J/mol×K | [592.78; 779.13] |
|
| Cp,gas | 479.76 | J/mol×K | 592.78 | Joback Calculated Property |
| Cp,gas | 494.22 | J/mol×K | 623.84 | Joback Calculated Property |
| Cp,gas | 507.80 | J/mol×K | 654.90 | Joback Calculated Property |
| Cp,gas | 520.53 | J/mol×K | 685.95 | Joback Calculated Property |
| Cp,gas | 532.46 | J/mol×K | 717.01 | Joback Calculated Property |
| Cp,gas | 543.61 | J/mol×K | 748.07 | Joback Calculated Property |
| Cp,gas | 554.01 | J/mol×K | 779.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-phenyl-, 2,2,3,3-tetrafluoropropyl ester.
Sources
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