- InChI
- InChI=1S/C15H17F3O2/c1-3-4-5-6-7-10(2)20-15(19)11-8-9-12(16)14(18)13(11)17/h6-10H,3-5H2,1-2H3/b7-6+
- InChI Key
- ASZHXOARIHLQJH-VOTSOKGWSA-N
- Formula
- C15H17F3O2
- SMILES
-
CCCCC=CC(C)OC(=O)c1ccc(F)c(F)c
1F - Molecular Weight1
- 286.29
- 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 | 0.6360 | Relay (... Calculated Property | |
| ΔfG° | -581.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -886.71 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 36.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.84 | kJ/mol | Relay (... Calculated Property |
| IE | 9.21 | eV | Relay (... Calculated Property |
| log10WS | -5.52 | Relay (... Calculated Property | |
| logPoct/wat | 4.396 | Crippen Calculated Property | |
| McVol | 206.900 | ml/mol | McGowan Calculated Property |
| Pc | 1734.67 | kPa | Joback Calculated Property |
| Inp | 1650.90 | NIST | |
| Tboil | 528.15 | K | Relay (... Calculated Property |
| Tc | 720.94 | K | Relay (... Calculated Property |
| Tfus | 251.12 | K | Relay (... Calculated Property |
| Vc | 0.749 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [547.89; 621.82] | J/mol×K | [662.04; 849.55] | 
|
| Cp,gas | 547.89 | J/mol×K | 662.04 | Joback Calculated Property |
| Cp,gas | 562.02 | J/mol×K | 693.29 | Joback Calculated Property |
| Cp,gas | 575.39 | J/mol×K | 724.54 | Joback Calculated Property |
| Cp,gas | 588.03 | J/mol×K | 755.79 | Joback Calculated Property |
| Cp,gas | 599.97 | J/mol×K | 787.04 | Joback Calculated Property |
| Cp,gas | 611.23 | J/mol×K | 818.30 | Joback Calculated Property |
| Cp,gas | 621.82 | J/mol×K | 849.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,4-Trifluorobenzoic acid, oct-3-en-2-yl ester.
Sources
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