- InChI
- InChI=1S/C17H13F5O2/c1-17(2,3)8-6-4-5-7-9(8)24-16(23)10-11(18)13(20)15(22)14(21)12(10)19/h4-7H,1-3H3
- InChI Key
- PMIQOYCPXYTJMF-UHFFFAOYSA-N
- Formula
- C17H13F5O2
- SMILES
-
CC(C)(C)c1ccccc1OC(=O)c1c(F)c(
F)c(F)c(F)c1F - Molecular Weight1
- 344.28
- 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° | -945.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1224.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.73 | kJ/mol | Joback Calculated Property |
| log10WS | -6.53 | Crippen Calculated Property | |
| logPoct/wat | 4.899 | Crippen Calculated Property | |
| McVol | 219.160 | ml/mol | McGowan Calculated Property |
| Pc | 1682.41 | kPa | Joback Calculated Property |
| Inp | [1720.30; 1727.90] |
|
|
| Inp | 1720.30 | NIST | |
| Inp | 1723.90 | NIST | |
| Inp | 1727.90 | NIST | |
| Inp | 1720.30 | NIST | |
| Tboil | 741.01 | K | Joback Calculated Property |
| Tc | 942.96 | K | Joback Calculated Property |
| Tfus | 486.84 | K | Joback Calculated Property |
| Vc | 0.875 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [607.86; 672.25] | J/mol×K | [741.01; 942.96] |
|
| Cp,gas | 607.86 | J/mol×K | 741.01 | Joback Calculated Property |
| Cp,gas | 620.68 | J/mol×K | 774.67 | Joback Calculated Property |
| Cp,gas | 632.62 | J/mol×K | 808.33 | Joback Calculated Property |
| Cp,gas | 643.72 | J/mol×K | 841.99 | Joback Calculated Property |
| Cp,gas | 654.01 | J/mol×K | 875.65 | Joback Calculated Property |
| Cp,gas | 663.51 | J/mol×K | 909.31 | Joback Calculated Property |
| Cp,gas | 672.25 | J/mol×K | 942.96 | Joback Calculated Property |
Similar Compounds
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Sources
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