- InChI
- InChI=1S/C17H21F3O2/c1-2-3-4-5-6-12-22-16(21)11-10-14-8-7-9-15(13-14)17(18,19)20/h7-11,13H,2-6,12H2,1H3/b11-10+
- InChI Key
- CZOIQZJKDFRADG-ZHACJKMWSA-N
- Formula
- C17H21F3O2
- SMILES
-
CCCCCCCOC(=O)C=Cc1cccc(C(F)(F)
F)c1 - Molecular Weight1
- 314.34
- 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° | -540.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -893.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.74 | kJ/mol | Joback Calculated Property |
| log10WS | -5.61 | Crippen Calculated Property | |
| logPoct/wat | 5.232 | Crippen Calculated Property | |
| McVol | 235.080 | ml/mol | McGowan Calculated Property |
| Pc | 1535.46 | kPa | Joback Calculated Property |
| Inp | 1870.00 | NIST | |
| Tboil | 695.05 | K | Joback Calculated Property |
| Tc | 883.30 | K | Joback Calculated Property |
| Tfus | 391.56 | K | Joback Calculated Property |
| Vc | 0.926 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [657.91; 737.74] | J/mol×K | [695.05; 883.30] | 
|
| Cp,gas | 657.91 | J/mol×K | 695.05 | Joback Calculated Property |
| Cp,gas | 673.34 | J/mol×K | 726.43 | Joback Calculated Property |
| Cp,gas | 687.86 | J/mol×K | 757.80 | Joback Calculated Property |
| Cp,gas | 701.51 | J/mol×K | 789.18 | Joback Calculated Property |
| Cp,gas | 714.34 | J/mol×K | 820.55 | Joback Calculated Property |
| Cp,gas | 726.40 | J/mol×K | 851.93 | Joback Calculated Property |
| Cp,gas | 737.74 | J/mol×K | 883.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-3-(Trifluoromethyl)cinnamic acid, heptyl ester.
Sources
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