- InChI
- InChI=1S/C15H19ClF2O2/c16-9-5-3-1-2-4-6-10-20-15(19)13-8-7-12(17)11-14(13)18/h7-8,11H,1-6,9-10H2
- InChI Key
- FJUSSAQRWOUCMC-UHFFFAOYSA-N
- Formula
- C15H19ClF2O2
- SMILES
- O=C(OCCCCCCCCCl)c1ccc(F)cc1F
- Molecular Weight1
- 304.76
- 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 | 0.8273 | Relay (... Calculated Property | |
| ΔfG° | -466.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -803.36 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 41.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.74 | kJ/mol | Relay (... Calculated Property |
| IE | 9.54 | eV | Relay (... Calculated Property |
| log10WS | -6.08 | Relay (... Calculated Property | |
| logPoct/wat | 4.701 | Crippen Calculated Property | |
| McVol | 221.670 | ml/mol | McGowan Calculated Property |
| Pc | 1682.41 | kPa | Joback Calculated Property |
| Inp | [2068.00; 2068.00] |
|
|
| Inp | 2068.00 | NIST | |
| Inp | 2068.00 | NIST | |
| Tboil | 585.60 | K | Relay (... Calculated Property |
| Tc | 796.95 | K | Relay (... Calculated Property |
| Tfus | 292.87 | K | Relay (... Calculated Property |
| Vc | 0.824 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [590.82; 664.73] | J/mol×K | [691.50; 880.08] |
|
| Cp,gas | 590.82 | J/mol×K | 691.50 | Joback Calculated Property |
| Cp,gas | 605.04 | J/mol×K | 722.93 | Joback Calculated Property |
| Cp,gas | 618.48 | J/mol×K | 754.36 | Joback Calculated Property |
| Cp,gas | 631.14 | J/mol×K | 785.79 | Joback Calculated Property |
| Cp,gas | 643.06 | J/mol×K | 817.22 | Joback Calculated Property |
| Cp,gas | 654.26 | J/mol×K | 848.65 | Joback Calculated Property |
| Cp,gas | 664.73 | J/mol×K | 880.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Difluorobenzoic acid, 8-chlorooctyl ester.
Sources
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