- InChI
- InChI=1S/C14H16ClFO4/c1-4-8-19-12(17)14(2,3)13(18)20-11-9(15)6-5-7-10(11)16/h5-7H,4,8H2,1-3H3
- InChI Key
- GZMKLAYYFNJJGI-UHFFFAOYSA-N
- Formula
- C14H16ClFO4
- SMILES
-
CCCOC(=O)C(C)(C)C(=O)Oc1c(F)cc
cc1Cl - Molecular Weight1
- 302.73
- 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° | -511.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -828.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.94 | kJ/mol | Joback Calculated Property |
| log10WS | -3.93 | Crippen Calculated Property | |
| logPoct/wat | 3.364 | Crippen Calculated Property | |
| McVol | 213.250 | ml/mol | McGowan Calculated Property |
| Pc | 2007.30 | kPa | Joback Calculated Property |
| Inp | 1785.00 | NIST | |
| Tboil | 742.41 | K | Joback Calculated Property |
| Tc | 954.26 | K | Joback Calculated Property |
| Tfus | 476.25 | K | Joback Calculated Property |
| Vc | 0.816 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [575.06; 639.05] | J/mol×K | [742.41; 954.26] | 
|
| Cp,gas | 575.06 | J/mol×K | 742.41 | Joback Calculated Property |
| Cp,gas | 587.98 | J/mol×K | 777.72 | Joback Calculated Property |
| Cp,gas | 599.97 | J/mol×K | 813.03 | Joback Calculated Property |
| Cp,gas | 611.04 | J/mol×K | 848.33 | Joback Calculated Property |
| Cp,gas | 621.23 | J/mol×K | 883.64 | Joback Calculated Property |
| Cp,gas | 630.56 | J/mol×K | 918.95 | Joback Calculated Property |
| Cp,gas | 639.05 | J/mol×K | 954.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 2-chloro-6-fluorophenyl propyl ester.
Sources
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