- InChI
- InChI=1S/C18H17FO4/c1-2-10-22-17(20)15-8-3-4-9-16(15)18(21)23-12-13-6-5-7-14(19)11-13/h3-9,11H,2,10,12H2,1H3
- InChI Key
- NYDNACMHHSFSMP-UHFFFAOYSA-N
- Formula
- C18H17FO4
- SMILES
-
CCCOC(=O)c1ccccc1C(=O)OCc1cccc
(F)c1 - Molecular Weight1
- 316.32
- 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 | 0.8041 | Relay (1.0) Calculated Property | |
| ΔfG° | -356.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -742.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.750 | Crippen Calculated Property | |
| McVol | 233.610 | ml/mol | McGowan Calculated Property |
| Pc | 1945.79 | kPa | Joback Calculated Property |
| Inp | 2255.00 | NIST | |
| Tboil | 636.86 | K | Relay (1.0) Calculated Property |
| Tc | 870.87 | K | Relay (1.0) Calculated Property |
| Tfus | 269.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.864 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [674.47; 737.16] | J/mol×K | [826.41; 1048.06] | 
|
| Cp,gas | 674.47 | J/mol×K | 826.41 | Joback Calculated Property |
| Cp,gas | 687.76 | J/mol×K | 863.35 | Joback Calculated Property |
| Cp,gas | 699.87 | J/mol×K | 900.29 | Joback Calculated Property |
| Cp,gas | 710.85 | J/mol×K | 937.23 | Joback Calculated Property |
| Cp,gas | 720.70 | J/mol×K | 974.18 | Joback Calculated Property |
| Cp,gas | 729.47 | J/mol×K | 1011.12 | Joback Calculated Property |
| Cp,gas | 737.16 | J/mol×K | 1048.06 | Joback Calculated Property |
Similar Compounds
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Sources
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