- InChI
- InChI=1S/C16H15FO3/c1-11(2)19-14-8-3-4-9-15(14)20-16(18)12-6-5-7-13(17)10-12/h3-11H,1-2H3
- InChI Key
- XDJUPJJTOYOWQQ-UHFFFAOYSA-N
- Formula
- C16H15FO3
- SMILES
-
CC(C)Oc1ccccc1OC(=O)c1cccc(F)c
1 - Molecular Weight1
- 274.29
- 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° | -246.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -501.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.45 | kJ/mol | Joback Calculated Property |
| log10WS | -4.96 | Crippen Calculated Property | |
| logPoct/wat | 3.832 | Crippen Calculated Property | |
| McVol | 203.860 | ml/mol | McGowan Calculated Property |
| Pc | 2204.15 | kPa | Joback Calculated Property |
| Inp | 1829.00 | NIST | |
| Tboil | 726.34 | K | Joback Calculated Property |
| Tc | 952.21 | K | Joback Calculated Property |
| Tfus | 427.94 | K | Joback Calculated Property |
| Vc | 0.769 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [551.83; 624.75] | J/mol×K | [726.34; 952.21] | 
|
| Cp,gas | 551.83 | J/mol×K | 726.34 | Joback Calculated Property |
| Cp,gas | 566.75 | J/mol×K | 763.98 | Joback Calculated Property |
| Cp,gas | 580.53 | J/mol×K | 801.63 | Joback Calculated Property |
| Cp,gas | 593.20 | J/mol×K | 839.27 | Joback Calculated Property |
| Cp,gas | 604.78 | J/mol×K | 876.92 | Joback Calculated Property |
| Cp,gas | 615.29 | J/mol×K | 914.56 | Joback Calculated Property |
| Cp,gas | 624.75 | J/mol×K | 952.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluorobenzoic acid, 2-isopropoxyphenyl ester.
Sources
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