- InChI
- InChI=1S/C18H26ClFO2/c1-2-3-4-5-6-7-8-9-10-14-22-18(21)15-12-11-13-16(19)17(15)20/h11-13H,2-10,14H2,1H3
- InChI Key
- NVFSTLBFRMMBBJ-UHFFFAOYSA-N
- Formula
- C18H26ClFO2
- SMILES
- CCCCCCCCCCCOC(=O)c1cccc(Cl)c1F
- Molecular Weight1
- 328.85
- 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° | -246.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -657.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.99 | kJ/mol | Joback Calculated Property |
| log10WS | -6.92 | Crippen Calculated Property | |
| logPoct/wat | 6.167 | Crippen Calculated Property | |
| McVol | 262.170 | ml/mol | McGowan Calculated Property |
| Pc | 1391.25 | kPa | Joback Calculated Property |
| Inp | [2312.00; 2312.00] |
|
|
| Inp | 2312.00 | NIST | |
| Inp | 2312.00 | NIST | |
| Tboil | 760.87 | K | Joback Calculated Property |
| Tc | 952.94 | K | Joback Calculated Property |
| Tfus | 446.75 | K | Joback Calculated Property |
| Vc | 1.026 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [748.50; 830.68] | J/mol×K | [760.87; 952.94] |
|
| Cp,gas | 748.50 | J/mol×K | 760.87 | Joback Calculated Property |
| Cp,gas | 764.43 | J/mol×K | 792.88 | Joback Calculated Property |
| Cp,gas | 779.43 | J/mol×K | 824.89 | Joback Calculated Property |
| Cp,gas | 793.53 | J/mol×K | 856.90 | Joback Calculated Property |
| Cp,gas | 806.75 | J/mol×K | 888.92 | Joback Calculated Property |
| Cp,gas | 819.13 | J/mol×K | 920.93 | Joback Calculated Property |
| Cp,gas | 830.68 | J/mol×K | 952.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, undecyl ester.
Sources
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