- InChI
- InChI=1S/C26H40F3NO/c1-5-9-12-21(7-3)19-30(20-22(8-4)13-10-6-2)25(31)17-16-23-14-11-15-24(18-23)26(27,28)29/h11,14-18,21-22H,5-10,12-13,19-20H2,1-4H3/b17-16+
- InChI Key
- PQRZKBDCCGKQFU-WUKNDPDISA-N
- Formula
- C26H40F3NO
- SMILES
-
CCCCC(CC)CN(CC(CC)CCCC)C(=O)C=
Cc1cccc(C(F)(F)F)c1 - Molecular Weight1
- 439.60
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -253.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -890.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.63 | kJ/mol | Joback Calculated Property |
| log10WS | -8.38 | Crippen Calculated Property | |
| logPoct/wat | 7.980 | Crippen Calculated Property | |
| McVol | 366.000 | ml/mol | McGowan Calculated Property |
| Pc | 872.74 | kPa | Joback Calculated Property |
| Inp | 2573.00 | NIST | |
| Tboil | 890.11 | K | Joback Calculated Property |
| Tc | 1090.40 | K | Joback Calculated Property |
| Tfus | 473.23 | K | Joback Calculated Property |
| Vc | 1.419 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1200.23; 1301.07] | J/mol×K | [890.11; 1090.40] | 
|
| Cp,gas | 1200.23 | J/mol×K | 890.11 | Joback Calculated Property |
| Cp,gas | 1219.36 | J/mol×K | 923.49 | Joback Calculated Property |
| Cp,gas | 1237.43 | J/mol×K | 956.87 | Joback Calculated Property |
| Cp,gas | 1254.53 | J/mol×K | 990.26 | Joback Calculated Property |
| Cp,gas | 1270.76 | J/mol×K | 1023.64 | Joback Calculated Property |
| Cp,gas | 1286.24 | J/mol×K | 1057.02 | Joback Calculated Property |
| Cp,gas | 1301.07 | J/mol×K | 1090.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-Cinnamamide, N,N-bis(2-ethylhexyl)-3-trifluoromethyl-.
Sources
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