- InChI
- InChI=1S/C17H24ClFO2/c1-2-3-4-5-6-7-8-9-13-21-17(20)14-11-10-12-15(18)16(14)19/h10-12H,2-9,13H2,1H3
- InChI Key
- LAXTXOAECWTBSP-UHFFFAOYSA-N
- Formula
- C17H24ClFO2
- SMILES
- CCCCCCCCCCOC(=O)c1cccc(Cl)c1F
- Molecular Weight1
- 314.82
- 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 | 0.8579 | Relay (1.0) Calculated Property | |
| ΔfG° | -255.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -678.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.777 | Crippen Calculated Property | |
| McVol | 248.080 | ml/mol | McGowan Calculated Property |
| Pc | 1496.51 | kPa | Joback Calculated Property |
| Inp | [2206.00; 2206.00] |
|
|
| Inp | 2206.00 | NIST | |
| Inp | 2206.00 | NIST | |
| Tboil | 603.82 | K | Relay (1.0) Calculated Property |
| Tc | 810.35 | K | Relay (1.0) Calculated Property |
| Tfus | 286.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.930 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [692.18; 772.75] | J/mol×K | [737.99; 930.67] |
|
| Cp,gas | 692.18 | J/mol×K | 737.99 | Joback Calculated Property |
| Cp,gas | 707.77 | J/mol×K | 770.10 | Joback Calculated Property |
| Cp,gas | 722.46 | J/mol×K | 802.22 | Joback Calculated Property |
| Cp,gas | 736.28 | J/mol×K | 834.33 | Joback Calculated Property |
| Cp,gas | 749.25 | J/mol×K | 866.44 | Joback Calculated Property |
| Cp,gas | 761.40 | J/mol×K | 898.56 | Joback Calculated Property |
| Cp,gas | 772.75 | J/mol×K | 930.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, decyl ester.
Sources
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