- InChI
- InChI=1S/C16H13FO4/c1-2-20-15(18)11-6-5-7-12(10-11)16(19)21-14-9-4-3-8-13(14)17/h3-10H,2H2,1H3
- InChI Key
- VTZRNHWAJYHKRG-UHFFFAOYSA-N
- Formula
- C16H13FO4
- SMILES
-
CCOC(=O)c1cccc(C(=O)Oc2ccccc2F
)c1 - Molecular Weight1
- 288.27
- 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° | -373.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -609.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.58 | kJ/mol | Joback Calculated Property |
| log10WS | -4.55 | Crippen Calculated Property | |
| logPoct/wat | 3.222 | Crippen Calculated Property | |
| McVol | 205.430 | ml/mol | McGowan Calculated Property |
| Pc | 2322.54 | kPa | Joback Calculated Property |
| Inp | [2213.00; 2213.00] |
|
|
| Inp | 2213.00 | NIST | |
| Inp | 2213.00 | NIST | |
| Tboil | 780.65 | K | Joback Calculated Property |
| Tc | 1008.11 | K | Joback Calculated Property |
| Tfus | 492.87 | K | Joback Calculated Property |
| Vc | 0.781 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [564.83; 625.26] | J/mol×K | [780.65; 1008.11] |
|
| Cp,gas | 564.83 | J/mol×K | 780.65 | Joback Calculated Property |
| Cp,gas | 577.63 | J/mol×K | 818.56 | Joback Calculated Property |
| Cp,gas | 589.32 | J/mol×K | 856.47 | Joback Calculated Property |
| Cp,gas | 599.90 | J/mol×K | 894.38 | Joback Calculated Property |
| Cp,gas | 609.41 | J/mol×K | 932.29 | Joback Calculated Property |
| Cp,gas | 617.85 | J/mol×K | 970.20 | Joback Calculated Property |
| Cp,gas | 625.26 | J/mol×K | 1008.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, ethyl 2-fluorophenyl ester.
Sources
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