- InChI
- InChI=1S/C17H14F3NO/c1-12-4-2-7-15(10-12)21-16(22)9-8-13-5-3-6-14(11-13)17(18,19)20/h2-11H,1H3,(H,21,22)/b9-8+
- InChI Key
- XYPIIKLMVAJECA-CMDGGOBGSA-N
- Formula
- C17H14F3NO
- SMILES
-
Cc1cccc(NC(=O)C=Cc2cccc(C(F)(F
)F)c2)c1 - Molecular Weight1
- 305.29
- 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 | 0.6499 | Relay (1.0) Calculated Property | |
| ΔfG° | -243.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -636.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.666 | Crippen Calculated Property | |
| McVol | 215.430 | ml/mol | McGowan Calculated Property |
| Pc | 2054.89 | kPa | Joback Calculated Property |
| Inp | [2339.00; 2339.00] |
|
|
| Inp | 2339.00 | NIST | |
| Inp | 2339.00 | NIST | |
| Tboil | 635.05 | K | Relay (1.0) Calculated Property |
| Tc | 900.55 | K | Relay (1.0) Calculated Property |
| Tfus | 396.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.749 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [598.65; 665.94] | J/mol×K | [754.46; 977.62] |
|
| Cp,gas | 598.65 | J/mol×K | 754.46 | Joback Calculated Property |
| Cp,gas | 612.16 | J/mol×K | 791.65 | Joback Calculated Property |
| Cp,gas | 624.61 | J/mol×K | 828.85 | Joback Calculated Property |
| Cp,gas | 636.12 | J/mol×K | 866.04 | Joback Calculated Property |
| Cp,gas | 646.77 | J/mol×K | 903.23 | Joback Calculated Property |
| Cp,gas | 656.68 | J/mol×K | 940.42 | Joback Calculated Property |
| Cp,gas | 665.94 | J/mol×K | 977.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-Cinnamamide, N-(3-methylphenyl)-3-trifluoromethyl-.
Sources
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