- InChI
- InChI=1S/C14H16ClFO2/c15-12-8-4-7-11(13(12)16)14(17)18-9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2
- InChI Key
- CIXJCBZECJWMCV-UHFFFAOYSA-N
- Formula
- C14H16ClFO2
- SMILES
- O=C(OCC1CCCCC1)c1cccc(Cl)c1F
- Molecular Weight1
- 270.73
- 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° | -256.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -521.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.51 | kJ/mol | Joback Calculated Property |
| log10WS | -4.90 | Crippen Calculated Property | |
| logPoct/wat | 4.216 | Crippen Calculated Property | |
| McVol | 194.950 | ml/mol | McGowan Calculated Property |
| Pc | 2284.95 | kPa | Joback Calculated Property |
| Inp | [1977.00; 1977.00] |
|
|
| Inp | 1977.00 | NIST | |
| Inp | 1977.00 | NIST | |
| Tboil | 688.90 | K | Joback Calculated Property |
| Tc | 917.92 | K | Joback Calculated Property |
| Tfus | 409.05 | K | Joback Calculated Property |
| Vc | 0.736 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [521.94; 604.99] | J/mol×K | [688.90; 917.92] |
|
| Cp,gas | 521.94 | J/mol×K | 688.90 | Joback Calculated Property |
| Cp,gas | 538.77 | J/mol×K | 727.07 | Joback Calculated Property |
| Cp,gas | 554.36 | J/mol×K | 765.24 | Joback Calculated Property |
| Cp,gas | 568.74 | J/mol×K | 803.41 | Joback Calculated Property |
| Cp,gas | 581.96 | J/mol×K | 841.58 | Joback Calculated Property |
| Cp,gas | 594.03 | J/mol×K | 879.75 | Joback Calculated Property |
| Cp,gas | 604.99 | J/mol×K | 917.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, cyclohexylmethyl ester.
Sources
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