- InChI
- InChI=1S/C10H10ClFO2/c1-2-6-14-10(13)7-4-3-5-8(11)9(7)12/h3-5H,2,6H2,1H3
- InChI Key
- LNXJUYUBVHDCPS-UHFFFAOYSA-N
- Formula
- C10H10ClFO2
- SMILES
- CCCOC(=O)c1cccc(Cl)c1F
- Molecular Weight1
- 216.64
- 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 | 0.5647 | Relay (1.0) Calculated Property | |
| ΔfG° | -314.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -531.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.046 | Crippen Calculated Property | |
| McVol | 149.450 | ml/mol | McGowan Calculated Property |
| Pc | 2732.56 | kPa | Joback Calculated Property |
| Inp | [1479.00; 1479.00] |
|
|
| Inp | 1479.00 | NIST | |
| Inp | 1479.00 | NIST | |
| Tboil | 527.92 | K | Relay (1.0) Calculated Property |
| Tc | 726.61 | K | Relay (1.0) Calculated Property |
| Tfus | 265.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.548 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [333.46; 393.77] | J/mol×K | [577.83; 786.58] |
|
| Cp,gas | 333.46 | J/mol×K | 577.83 | Joback Calculated Property |
| Cp,gas | 345.07 | J/mol×K | 612.62 | Joback Calculated Property |
| Cp,gas | 356.04 | J/mol×K | 647.41 | Joback Calculated Property |
| Cp,gas | 366.39 | J/mol×K | 682.21 | Joback Calculated Property |
| Cp,gas | 376.12 | J/mol×K | 717.00 | Joback Calculated Property |
| Cp,gas | 385.24 | J/mol×K | 751.79 | Joback Calculated Property |
| Cp,gas | 393.77 | J/mol×K | 786.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, propyl ester.
Sources
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