- InChI
- InChI=1S/C13H15Cl2FO2/c14-8-3-1-2-4-9-18-13(17)10-6-5-7-11(15)12(10)16/h5-7H,1-4,8-9H2
- InChI Key
- DEMDOORCUCINHP-UHFFFAOYSA-N
- Formula
- C13H15Cl2FO2
- SMILES
- O=C(OCCCCCCCl)c1cccc(Cl)c1F
- Molecular Weight1
- 293.16
- 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 | 0.7499 | Relay (1.0) Calculated Property | |
| ΔfG° | -300.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -596.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.435 | Crippen Calculated Property | |
| McVol | 203.960 | ml/mol | McGowan Calculated Property |
| Pc | 1996.55 | kPa | Joback Calculated Property |
| Inp | 2105.00 | NIST | |
| Tboil | 583.80 | K | Relay (1.0) Calculated Property |
| Tc | 812.56 | K | Relay (1.0) Calculated Property |
| Tfus | 285.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.737 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [505.01; 570.91] | J/mol×K | [683.90; 887.36] | 
|
| Cp,gas | 505.01 | J/mol×K | 683.90 | Joback Calculated Property |
| Cp,gas | 517.88 | J/mol×K | 717.81 | Joback Calculated Property |
| Cp,gas | 529.97 | J/mol×K | 751.72 | Joback Calculated Property |
| Cp,gas | 541.29 | J/mol×K | 785.63 | Joback Calculated Property |
| Cp,gas | 551.88 | J/mol×K | 819.54 | Joback Calculated Property |
| Cp,gas | 561.75 | J/mol×K | 853.45 | Joback Calculated Property |
| Cp,gas | 570.91 | J/mol×K | 887.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, 6-chlorohexyl ester.
Sources
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