- InChI
- InChI=1S/C23H19F3O4/c1-13(14-7-5-4-6-8-14)16-11-15(28-2)9-10-19(16)30-23(27)17-12-18(24)21(26)22(29-3)20(17)25/h4-13H,1-3H3
- InChI Key
- QVGKRNVGTXBFBH-UHFFFAOYSA-N
- Formula
- C23H19F3O4
- SMILES
-
COc1ccc(OC(=O)c2cc(F)c(F)c(OC)
c2F)c(C(C)c2ccccc2)c1 - Molecular Weight1
- 416.39
- 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° | -608.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -980.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.73 | kJ/mol | Joback Calculated Property |
| log10WS | -7.28 | Crippen Calculated Property | |
| logPoct/wat | 5.492 | Crippen Calculated Property | |
| McVol | 288.140 | ml/mol | McGowan Calculated Property |
| Pc | 1436.98 | kPa | Joback Calculated Property |
| Inp | 2759.00 | NIST | |
| Tboil | 954.06 | K | Joback Calculated Property |
| Tc | 1182.40 | K | Joback Calculated Property |
| Tfus | 606.74 | K | Joback Calculated Property |
| Vc | 1.107 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [884.52; 931.78] | J/mol×K | [954.06; 1182.40] | 
|
| Cp,gas | 884.52 | J/mol×K | 954.06 | Joback Calculated Property |
| Cp,gas | 896.15 | J/mol×K | 992.12 | Joback Calculated Property |
| Cp,gas | 906.26 | J/mol×K | 1030.17 | Joback Calculated Property |
| Cp,gas | 914.87 | J/mol×K | 1068.23 | Joback Calculated Property |
| Cp,gas | 921.99 | J/mol×K | 1106.28 | Joback Calculated Property |
| Cp,gas | 927.62 | J/mol×K | 1144.34 | Joback Calculated Property |
| Cp,gas | 931.78 | J/mol×K | 1182.40 | Joback Calculated Property |
Similar Compounds
Sources
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