- InChI
- InChI=1S/C15H18ClFO4/c1-4-5-9-20-13(18)15(2,3)14(19)21-12-10(16)7-6-8-11(12)17/h6-8H,4-5,9H2,1-3H3
- InChI Key
- JQWDBNCRAPZNSD-UHFFFAOYSA-N
- Formula
- C15H18ClFO4
- SMILES
-
CCCCOC(=O)C(C)(C)C(=O)Oc1c(F)c
ccc1Cl - Molecular Weight1
- 316.75
- 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 | 0.7109 | Relay (1.0) Calculated Property | |
| ΔfG° | -503.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -917.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.754 | Crippen Calculated Property | |
| McVol | 227.340 | ml/mol | McGowan Calculated Property |
| Pc | 1845.16 | kPa | Joback Calculated Property |
| Inp | 1872.00 | NIST | |
| Tboil | 554.66 | K | Relay (1.0) Calculated Property |
| Tc | 794.49 | K | Relay (1.0) Calculated Property |
| Tfus | 294.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.837 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [628.81; 694.64] | J/mol×K | [765.29; 974.78] | 
|
| Cp,gas | 628.81 | J/mol×K | 765.29 | Joback Calculated Property |
| Cp,gas | 642.10 | J/mol×K | 800.21 | Joback Calculated Property |
| Cp,gas | 654.42 | J/mol×K | 835.12 | Joback Calculated Property |
| Cp,gas | 665.81 | J/mol×K | 870.04 | Joback Calculated Property |
| Cp,gas | 676.30 | J/mol×K | 904.95 | Joback Calculated Property |
| Cp,gas | 685.89 | J/mol×K | 939.87 | Joback Calculated Property |
| Cp,gas | 694.64 | J/mol×K | 974.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, butyl 2-chloro-6-fluorophenyl ester.
Sources
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