- InChI
- InChI=1S/C17H20ClFO4/c1-2-3-4-5-12-22-15(20)10-7-11-16(21)23-17-13(18)8-6-9-14(17)19/h2-3,6,8-9H,4-5,7,10-12H2,1H3/b3-2+
- InChI Key
- ZEASSUCKBVMGTA-NSCUHMNNSA-N
- Formula
- C17H20ClFO4
- SMILES
-
CC=CCCCOC(=O)CCCC(=O)Oc1c(F)cc
cc1Cl - Molecular Weight1
- 342.79
- 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 | 0.8362 | Relay (... Calculated Property | |
| ΔfG° | -408.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -878.96 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 46.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.31 | kJ/mol | Relay (... Calculated Property |
| IE | 8.52 | eV | Relay (... Calculated Property |
| log10WS | -4.65 | Relay (... Calculated Property | |
| logPoct/wat | 4.454 | Crippen Calculated Property | |
| McVol | 251.220 | ml/mol | McGowan Calculated Property |
| Pc | 1616.77 | kPa | Joback Calculated Property |
| Inp | [2298.00; 2298.00] |
|
|
| Inp | 2298.00 | NIST | |
| Inp | 2298.00 | NIST | |
| Tboil | 609.85 | K | Relay (... Calculated Property |
| Tc | 827.45 | K | Relay (... Calculated Property |
| Tfus | 308.04 | K | Relay (... Calculated Property |
| Vc | 0.901 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [711.69; 777.48] | J/mol×K | [818.44; 1023.34] |
|
| Cp,gas | 711.69 | J/mol×K | 818.44 | Joback Calculated Property |
| Cp,gas | 724.91 | J/mol×K | 852.59 | Joback Calculated Property |
| Cp,gas | 737.20 | J/mol×K | 886.74 | Joback Calculated Property |
| Cp,gas | 748.57 | J/mol×K | 920.89 | Joback Calculated Property |
| Cp,gas | 759.06 | J/mol×K | 955.04 | Joback Calculated Property |
| Cp,gas | 768.69 | J/mol×K | 989.19 | Joback Calculated Property |
| Cp,gas | 777.48 | J/mol×K | 1023.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-en-1-yl 2-chloro-6-fluorophenyl ester.
Sources
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