- InChI
- InChI=1S/C15H14ClFO4/c1-3-10(2)20-13(18)8-5-9-14(19)21-15-11(16)6-4-7-12(15)17/h1,4,6-7,10H,5,8-9H2,2H3
- InChI Key
- GCRIWMOZZCAZNK-UHFFFAOYSA-N
- Formula
- C15H14ClFO4
- SMILES
-
C#CC(C)OC(=O)CCCC(=O)Oc1c(F)cc
cc1Cl - Molecular Weight1
- 312.72
- 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° | -285.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -554.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.93 | kJ/mol | Joback Calculated Property |
| log10WS | -4.50 | Crippen Calculated Property | |
| logPoct/wat | 3.120 | Crippen Calculated Property | |
| McVol | 218.740 | ml/mol | McGowan Calculated Property |
| Pc | 2083.12 | kPa | Joback Calculated Property |
| Inp | 2001.00 | NIST | |
| Tboil | 758.20 | K | Joback Calculated Property |
| Tc | 972.08 | K | Joback Calculated Property |
| Tfus | 517.07 | K | Joback Calculated Property |
| Vc | 0.839 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [576.15; 636.24] | J/mol×K | [758.20; 972.08] | 
|
| Cp,gas | 576.15 | J/mol×K | 758.20 | Joback Calculated Property |
| Cp,gas | 588.36 | J/mol×K | 793.85 | Joback Calculated Property |
| Cp,gas | 599.67 | J/mol×K | 829.49 | Joback Calculated Property |
| Cp,gas | 610.10 | J/mol×K | 865.14 | Joback Calculated Property |
| Cp,gas | 619.67 | J/mol×K | 900.78 | Joback Calculated Property |
| Cp,gas | 628.38 | J/mol×K | 936.43 | Joback Calculated Property |
| Cp,gas | 636.24 | J/mol×K | 972.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, but-3-yn-2-yl 2-chloro-6-fluorophenyl ester.
Sources
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