- InChI
- InChI=1S/C17H13F3O2/c1-12-4-2-7-15(10-12)22-16(21)9-8-13-5-3-6-14(11-13)17(18,19)20/h2-11H,1H3/b9-8+
- InChI Key
- DCNWBLYDMVETAN-CMDGGOBGSA-N
- Formula
- C17H13F3O2
- SMILES
-
Cc1cccc(OC(=O)C=Cc2cccc(C(F)(F
)F)c2)c1 - Molecular Weight1
- 306.28
- 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 | 0.6396 | Relay (1.0) Calculated Property | |
| ΔfG° | -437.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -801.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.633 | Crippen Calculated Property | |
| McVol | 211.320 | ml/mol | McGowan Calculated Property |
| Pc | 2000.12 | kPa | Joback Calculated Property |
| Inp | 2016.00 | NIST | |
| Tboil | 608.03 | K | Relay (1.0) Calculated Property |
| Tc | 844.26 | K | Relay (1.0) Calculated Property |
| Tfus | 348.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.745 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [572.45; 641.09] | J/mol×K | [726.71; 948.48] | 
|
| Cp,gas | 572.45 | J/mol×K | 726.71 | Joback Calculated Property |
| Cp,gas | 586.35 | J/mol×K | 763.67 | Joback Calculated Property |
| Cp,gas | 599.15 | J/mol×K | 800.63 | Joback Calculated Property |
| Cp,gas | 610.95 | J/mol×K | 837.60 | Joback Calculated Property |
| Cp,gas | 621.82 | J/mol×K | 874.56 | Joback Calculated Property |
| Cp,gas | 631.84 | J/mol×K | 911.52 | Joback Calculated Property |
| Cp,gas | 641.09 | J/mol×K | 948.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-3-Trifluoromethylcinnamic acid, 3-methylphenyl ester.
Sources
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