- InChI
- InChI=1S/C13H9F3O2/c1-2-3-4-9-18-12(17)10-5-7-11(8-6-10)13(14,15)16/h1,3-8H,9H2
- InChI Key
- UJVYDZIZKFKVHB-UHFFFAOYSA-N
- Formula
- C13H9F3O2
- SMILES
-
C#CC=CCOC(=O)c1ccc(C(F)(F)F)cc
1 - Molecular Weight1
- 254.20
- 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 | 0.5012 | Relay (1.0) Calculated Property | |
| ΔfG° | -350.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -657.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.052 | Crippen Calculated Property | |
| McVol | 170.120 | ml/mol | McGowan Calculated Property |
| Pc | 2450.74 | kPa | Joback Calculated Property |
| Inp | 1454.00 | NIST | |
| Tboil | 524.14 | K | Relay (1.0) Calculated Property |
| Tc | 731.30 | K | Relay (1.0) Calculated Property |
| Tfus | 366.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.579 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [409.28; 471.71] | J/mol×K | [593.65; 802.09] | 
|
| Cp,gas | 409.28 | J/mol×K | 593.65 | Joback Calculated Property |
| Cp,gas | 421.76 | J/mol×K | 628.39 | Joback Calculated Property |
| Cp,gas | 433.33 | J/mol×K | 663.13 | Joback Calculated Property |
| Cp,gas | 444.05 | J/mol×K | 697.87 | Joback Calculated Property |
| Cp,gas | 453.98 | J/mol×K | 732.61 | Joback Calculated Property |
| Cp,gas | 463.18 | J/mol×K | 767.35 | Joback Calculated Property |
| Cp,gas | 471.71 | J/mol×K | 802.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(Trifluoromethyl)benzoic acid, pent-2-en-4-ynyl ester.
Sources
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