- InChI
- InChI=1S/C15H20ClFO2/c16-10-5-3-1-2-4-6-11-19-15(18)13-8-7-9-14(17)12-13/h7-9,12H,1-6,10-11H2
- InChI Key
- YZSYZDFQZYCLBT-UHFFFAOYSA-N
- Formula
- C15H20ClFO2
- SMILES
- O=C(OCCCCCCCCCl)c1cccc(F)c1
- Molecular Weight1
- 286.77
- 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° | -262.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -584.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.65 | kJ/mol | Joback Calculated Property |
| log10WS | -5.13 | Crippen Calculated Property | |
| logPoct/wat | 4.562 | Crippen Calculated Property | |
| McVol | 219.900 | ml/mol | McGowan Calculated Property |
| Pc | 1768.38 | kPa | Joback Calculated Property |
| Inp | [2122.00; 2122.00] |
|
|
| Inp | 2122.00 | NIST | |
| Inp | 2122.00 | NIST | |
| Tboil | 687.25 | K | Joback Calculated Property |
| Tc | 881.81 | K | Joback Calculated Property |
| Tfus | 400.42 | K | Joback Calculated Property |
| Vc | 0.859 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [583.58; 660.82] | J/mol×K | [687.25; 881.81] |
|
| Cp,gas | 583.58 | J/mol×K | 687.25 | Joback Calculated Property |
| Cp,gas | 598.51 | J/mol×K | 719.68 | Joback Calculated Property |
| Cp,gas | 612.59 | J/mol×K | 752.10 | Joback Calculated Property |
| Cp,gas | 625.83 | J/mol×K | 784.53 | Joback Calculated Property |
| Cp,gas | 638.27 | J/mol×K | 816.96 | Joback Calculated Property |
| Cp,gas | 649.93 | J/mol×K | 849.38 | Joback Calculated Property |
| Cp,gas | 660.82 | J/mol×K | 881.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluorobenzoic acid, 8-chlorooctyl ester.
Sources
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