- InChI
- InChI=1S/C13H14ClFO2/c14-11-8-4-7-10(12(11)15)13(16)17-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
- InChI Key
- MDUVYNSQHOLDDV-UHFFFAOYSA-N
- Formula
- C13H14ClFO2
- SMILES
- O=C(OC1CCCCC1)c1cccc(Cl)c1F
- Molecular Weight1
- 256.70
- 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° | -264.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -500.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.28 | kJ/mol | Joback Calculated Property |
| log10WS | -4.83 | Crippen Calculated Property | |
| logPoct/wat | 3.969 | Crippen Calculated Property | |
| McVol | 180.860 | ml/mol | McGowan Calculated Property |
| Pc | 2510.03 | kPa | Joback Calculated Property |
| Inp | 1853.00 | NIST | |
| Tboil | 666.02 | K | Joback Calculated Property |
| Tc | 899.53 | K | Joback Calculated Property |
| Tfus | 397.78 | K | Joback Calculated Property |
| Vc | 0.679 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [469.50; 550.65] | J/mol×K | [666.02; 899.53] | 
|
| Cp,gas | 469.50 | J/mol×K | 666.02 | Joback Calculated Property |
| Cp,gas | 485.97 | J/mol×K | 704.94 | Joback Calculated Property |
| Cp,gas | 501.22 | J/mol×K | 743.86 | Joback Calculated Property |
| Cp,gas | 515.28 | J/mol×K | 782.77 | Joback Calculated Property |
| Cp,gas | 528.19 | J/mol×K | 821.69 | Joback Calculated Property |
| Cp,gas | 539.97 | J/mol×K | 860.61 | Joback Calculated Property |
| Cp,gas | 550.65 | J/mol×K | 899.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, cyclohexyl ester.
Sources
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