- InChI
- InChI=1S/C17H10F3NO2/c18-17(19,20)14-3-1-2-12(10-14)6-9-16(22)23-15-7-4-13(11-21)5-8-15/h1-10H/b9-6+
- InChI Key
- HNVHKGKHGLQQMO-RMKNXTFCSA-N
- Formula
- C17H10F3NO2
- SMILES
-
N#Cc1ccc(OC(=O)C=Cc2cccc(C(F)(
F)F)c2)cc1 - Molecular Weight1
- 317.26
- 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 | 0.6852 | Relay (1.0) Calculated Property | |
| ΔfG° | -304.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -636.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.196 | Crippen Calculated Property | |
| McVol | 212.700 | ml/mol | McGowan Calculated Property |
| Pc | 1956.14 | kPa | Joback Calculated Property |
| Inp | 2256.00 | NIST | |
| Tboil | 641.92 | K | Relay (1.0) Calculated Property |
| Tc | 881.84 | K | Relay (1.0) Calculated Property |
| Tfus | 365.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.740 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [588.88; 640.60] | J/mol×K | [828.79; 1061.33] | 
|
| Cp,gas | 588.88 | J/mol×K | 828.79 | Joback Calculated Property |
| Cp,gas | 599.46 | J/mol×K | 867.55 | Joback Calculated Property |
| Cp,gas | 609.14 | J/mol×K | 906.30 | Joback Calculated Property |
| Cp,gas | 618.00 | J/mol×K | 945.06 | Joback Calculated Property |
| Cp,gas | 626.14 | J/mol×K | 983.82 | Joback Calculated Property |
| Cp,gas | 633.64 | J/mol×K | 1022.58 | Joback Calculated Property |
| Cp,gas | 640.60 | J/mol×K | 1061.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-3-Trifluoromethylcinnamic acid, 4-cyanophenyl ester.
Sources
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