- InChI
- InChI=1S/C17H22ClFO4/c1-2-3-4-5-11-22-16(20)9-10-17(21)23-12-13-14(18)7-6-8-15(13)19/h6-8H,2-5,9-12H2,1H3
- InChI Key
- JJUGVGLWXXLEAX-UHFFFAOYSA-N
- Formula
- C17H22ClFO4
- SMILES
-
CCCCCCOC(=O)CCC(=O)OCc1c(F)ccc
c1Cl - Molecular Weight1
- 344.81
- 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° | -489.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -882.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.92 | kJ/mol | Joback Calculated Property |
| log10WS | -5.28 | Crippen Calculated Property | |
| logPoct/wat | 4.426 | Crippen Calculated Property | |
| McVol | 255.520 | ml/mol | McGowan Calculated Property |
| Pc | 1551.22 | kPa | Joback Calculated Property |
| Inp | [2315.00; 2315.00] |
|
|
| Inp | 2315.00 | NIST | |
| Inp | 2315.00 | NIST | |
| Tboil | 814.28 | K | Joback Calculated Property |
| Tc | 1014.35 | K | Joback Calculated Property |
| Tfus | 507.64 | K | Joback Calculated Property |
| Vc | 0.995 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [737.88; 805.90] | J/mol×K | [814.28; 1014.35] |
|
| Cp,gas | 737.88 | J/mol×K | 814.28 | Joback Calculated Property |
| Cp,gas | 751.62 | J/mol×K | 847.62 | Joback Calculated Property |
| Cp,gas | 764.38 | J/mol×K | 880.97 | Joback Calculated Property |
| Cp,gas | 776.17 | J/mol×K | 914.31 | Joback Calculated Property |
| Cp,gas | 787.02 | J/mol×K | 947.66 | Joback Calculated Property |
| Cp,gas | 796.92 | J/mol×K | 981.00 | Joback Calculated Property |
| Cp,gas | 805.90 | J/mol×K | 1014.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-chloro-6-fluorobenzyl hexyl ester.
Sources
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