- InChI
- InChI=1S/C17H15F3O3/c1-3-6-10-7-4-5-8-13(10)23-17(21)11-9-12(18)15(20)16(22-2)14(11)19/h4-5,7-9H,3,6H2,1-2H3
- InChI Key
- PFPKVRQSXIDVMQ-UHFFFAOYSA-N
- Formula
- C17H15F3O3
- SMILES
-
CCCc1ccccc1OC(=O)c1cc(F)c(F)c(
OC)c1F - Molecular Weight1
- 324.29
- 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 | 0.7889 | Relay (... Calculated Property | |
| ΔfG° | -654.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -848.59 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 39.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.11 | kJ/mol | Relay (... Calculated Property |
| IE | 8.38 | eV | Relay (... Calculated Property |
| log10WS | -5.61 | Relay (... Calculated Property | |
| logPoct/wat | 4.284 | Crippen Calculated Property | |
| McVol | 221.490 | ml/mol | McGowan Calculated Property |
| Pc | 1781.84 | kPa | Joback Calculated Property |
| Inp | [2019.00; 2019.00] |
|
|
| Inp | 2019.00 | NIST | |
| Inp | 2019.00 | NIST | |
| Tboil | 608.22 | K | Relay (... Calculated Property |
| Tc | 844.73 | K | Relay (... Calculated Property |
| Tfus | 328.12 | K | Relay (... Calculated Property |
| Vc | 0.817 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [617.56; 684.15] | J/mol×K | [763.14; 968.78] |
|
| Cp,gas | 617.56 | J/mol×K | 763.14 | Joback Calculated Property |
| Cp,gas | 630.99 | J/mol×K | 797.41 | Joback Calculated Property |
| Cp,gas | 643.48 | J/mol×K | 831.69 | Joback Calculated Property |
| Cp,gas | 655.04 | J/mol×K | 865.96 | Joback Calculated Property |
| Cp,gas | 665.67 | J/mol×K | 900.23 | Joback Calculated Property |
| Cp,gas | 675.37 | J/mol×K | 934.50 | Joback Calculated Property |
| Cp,gas | 684.15 | J/mol×K | 968.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methoxy-2,4,5-trifluorobenzoic acid, 2-propylphenyl ester.
Sources
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