- InChI
- InChI=1S/C19H19FO4/c1-13(2)11-23-18(21)16-8-3-4-9-17(16)19(22)24-12-14-6-5-7-15(20)10-14/h3-10,13H,11-12H2,1-2H3
- InChI Key
- AQECAMPVHFABMY-UHFFFAOYSA-N
- Formula
- C19H19FO4
- SMILES
-
CC(C)COC(=O)c1ccccc1C(=O)OCc1c
ccc(F)c1 - Molecular Weight1
- 330.35
- 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° | -350.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -676.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.87 | kJ/mol | Joback Calculated Property |
| log10WS | -5.41 | Crippen Calculated Property | |
| logPoct/wat | 3.995 | Crippen Calculated Property | |
| McVol | 247.700 | ml/mol | McGowan Calculated Property |
| Pc | 1803.09 | kPa | Joback Calculated Property |
| Inp | [2302.00; 2302.00] |
|
|
| Inp | 2302.00 | NIST | |
| Inp | 2302.00 | NIST | |
| Tboil | 848.85 | K | Joback Calculated Property |
| Tc | 1071.40 | K | Joback Calculated Property |
| Tfus | 511.68 | K | Joback Calculated Property |
| Vc | 0.944 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [731.23; 794.92] | J/mol×K | [848.85; 1071.40] |
|
| Cp,gas | 731.23 | J/mol×K | 848.85 | Joback Calculated Property |
| Cp,gas | 744.84 | J/mol×K | 885.94 | Joback Calculated Property |
| Cp,gas | 757.22 | J/mol×K | 923.03 | Joback Calculated Property |
| Cp,gas | 768.38 | J/mol×K | 960.12 | Joback Calculated Property |
| Cp,gas | 778.37 | J/mol×K | 997.22 | Joback Calculated Property |
| Cp,gas | 787.20 | J/mol×K | 1034.31 | Joback Calculated Property |
| Cp,gas | 794.92 | J/mol×K | 1071.40 | Joback Calculated Property |
Similar Compounds
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Sources
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