- InChI
- InChI=1S/C19H25F3O2/c1-2-3-4-5-6-7-8-9-10-14-24-18(23)16-12-11-13-17(15-16)19(20,21)22/h9-13,15H,2-8,14H2,1H3/b10-9+
- InChI Key
- AAZFDMMASBCQRR-MDZDMXLPSA-N
- Formula
- C19H25F3O2
- SMILES
-
CCCCCCCCC=CCOC(=O)c1cccc(C(F)(
F)F)c1 - Molecular Weight1
- 342.40
- 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° | -523.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -935.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.19 | kJ/mol | Joback Calculated Property |
| log10WS | -6.86 | Crippen Calculated Property | |
| logPoct/wat | 6.169 | Crippen Calculated Property | |
| McVol | 263.260 | ml/mol | McGowan Calculated Property |
| Pc | 1328.10 | kPa | Joback Calculated Property |
| Inp | [2008.00; 2008.00] |
|
|
| Inp | 2008.00 | NIST | |
| Inp | 2008.00 | NIST | |
| Tboil | 740.81 | K | Joback Calculated Property |
| Tc | 927.72 | K | Joback Calculated Property |
| Tfus | 414.10 | K | Joback Calculated Property |
| Vc | 1.038 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [769.01; 852.47] | J/mol×K | [740.81; 927.72] |
|
| Cp,gas | 769.01 | J/mol×K | 740.81 | Joback Calculated Property |
| Cp,gas | 785.09 | J/mol×K | 771.96 | Joback Calculated Property |
| Cp,gas | 800.23 | J/mol×K | 803.11 | Joback Calculated Property |
| Cp,gas | 814.49 | J/mol×K | 834.27 | Joback Calculated Property |
| Cp,gas | 827.91 | J/mol×K | 865.42 | Joback Calculated Property |
| Cp,gas | 840.56 | J/mol×K | 896.57 | Joback Calculated Property |
| Cp,gas | 852.47 | J/mol×K | 927.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Trifluoromethylbenzoic acid, undec-2-enyl ester.
Sources
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