- InChI
- InChI=1S/C19H18F3NO/c1-3-23(17-9-4-6-14(2)12-17)18(24)11-10-15-7-5-8-16(13-15)19(20,21)22/h4-13H,3H2,1-2H3/b11-10+
- InChI Key
- YASSUSJXRYJNOU-ZHACJKMWSA-N
- Formula
- C19H18F3NO
- SMILES
-
CCN(C(=O)C=Cc1cccc(C(F)(F)F)c1
)c1cccc(C)c1 - Molecular Weight1
- 333.35
- 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 | 0.6687 | Relay (1.0) Calculated Property | |
| ΔfG° | -204.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -652.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.080 | Crippen Calculated Property | |
| McVol | 243.610 | ml/mol | McGowan Calculated Property |
| Pc | 1717.45 | kPa | Joback Calculated Property |
| Inp | [2138.00; 2138.00] |
|
|
| Inp | 2138.00 | NIST | |
| Inp | 2138.00 | NIST | |
| Tboil | 646.36 | K | Relay (1.0) Calculated Property |
| Tc | 885.09 | K | Relay (1.0) Calculated Property |
| Tfus | 375.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.861 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [693.63; 769.25] | J/mol×K | [762.49; 977.58] |
|
| Cp,gas | 693.63 | J/mol×K | 762.49 | Joback Calculated Property |
| Cp,gas | 708.62 | J/mol×K | 798.34 | Joback Calculated Property |
| Cp,gas | 722.51 | J/mol×K | 834.19 | Joback Calculated Property |
| Cp,gas | 735.42 | J/mol×K | 870.03 | Joback Calculated Property |
| Cp,gas | 747.44 | J/mol×K | 905.88 | Joback Calculated Property |
| Cp,gas | 758.68 | J/mol×K | 941.73 | Joback Calculated Property |
| Cp,gas | 769.25 | J/mol×K | 977.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-Cinnamamide, N-ethyl-N-(3-methylphenyl)-3-trifluoromethyl-.
Sources
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