- InChI
- InChI=1S/C14H12ClF5O3/c1-3-14(4-2,12(15)21)13(22)23-5-6-7(16)9(18)11(20)10(19)8(6)17/h3-5H2,1-2H3
- InChI Key
- HYUVVJFEDWDPOO-UHFFFAOYSA-N
- Formula
- C14H12ClF5O3
- SMILES
-
CCC(CC)(C(=O)Cl)C(=O)OCc1c(F)c
(F)c(F)c(F)c1F - Molecular Weight1
- 358.69
- 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° | -1214.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1515.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.25 | kJ/mol | Joback Calculated Property |
| log10WS | -5.49 | Crippen Calculated Property | |
| logPoct/wat | 3.997 | Crippen Calculated Property | |
| McVol | 214.460 | ml/mol | McGowan Calculated Property |
| Pc | 1679.66 | kPa | Joback Calculated Property |
| Inp | [1583.00; 1583.00] |
|
|
| Inp | 1583.00 | NIST | |
| Inp | 1583.00 | NIST | |
| Tboil | 732.01 | K | Joback Calculated Property |
| Tc | 920.30 | K | Joback Calculated Property |
| Tfus | 493.94 | K | Joback Calculated Property |
| Vc | 0.870 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [577.09; 632.69] | J/mol×K | [732.01; 920.30] |
|
| Cp,gas | 577.09 | J/mol×K | 732.01 | Joback Calculated Property |
| Cp,gas | 588.01 | J/mol×K | 763.39 | Joback Calculated Property |
| Cp,gas | 598.25 | J/mol×K | 794.77 | Joback Calculated Property |
| Cp,gas | 607.82 | J/mol×K | 826.16 | Joback Calculated Property |
| Cp,gas | 616.74 | J/mol×K | 857.54 | Joback Calculated Property |
| Cp,gas | 625.02 | J/mol×K | 888.92 | Joback Calculated Property |
| Cp,gas | 632.69 | J/mol×K | 920.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, monochloride, pentafluorobenzyl ester.
Sources
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