- InChI
- InChI=1S/C13H14Cl2O3/c1-3-8(4-2)13(17)18-12-9(7-16)5-10(14)6-11(12)15/h5-8H,3-4H2,1-2H3
- InChI Key
- MAVNNZQOAIZABL-UHFFFAOYSA-N
- Formula
- C13H14Cl2O3
- SMILES
-
CCC(CC)C(=O)Oc1c(Cl)cc(Cl)cc1C
=O - Molecular Weight1
- 289.15
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -217.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -476.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.05 | kJ/mol | Joback Calculated Property |
| log10WS | -4.83 | Crippen Calculated Property | |
| logPoct/wat | 4.148 | Crippen Calculated Property | |
| McVol | 203.760 | ml/mol | McGowan Calculated Property |
| Pc | 2212.45 | kPa | Joback Calculated Property |
| Inp | [1881.00; 1881.00] |
|
|
| Inp | 1881.00 | NIST | |
| Inp | 1881.00 | NIST | |
| Tboil | 737.83 | K | Joback Calculated Property |
| Tc | 956.33 | K | Joback Calculated Property |
| Tfus | 459.25 | K | Joback Calculated Property |
| Vc | 0.788 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [510.19; 569.33] | J/mol×K | [737.83; 956.33] |
|
| Cp,gas | 510.19 | J/mol×K | 737.83 | Joback Calculated Property |
| Cp,gas | 522.09 | J/mol×K | 774.25 | Joback Calculated Property |
| Cp,gas | 533.15 | J/mol×K | 810.66 | Joback Calculated Property |
| Cp,gas | 543.39 | J/mol×K | 847.08 | Joback Calculated Property |
| Cp,gas | 552.82 | J/mol×K | 883.50 | Joback Calculated Property |
| Cp,gas | 561.47 | J/mol×K | 919.91 | Joback Calculated Property |
| Cp,gas | 569.33 | J/mol×K | 956.33 | Joback Calculated Property |
| η | [0.0001471; 0.0010200] | Pa×s | [459.25; 737.83] |
|
| η | 0.0010200 | Pa×s | 459.25 | Joback Calculated Property |
| η | 0.0006369 | Pa×s | 505.68 | Joback Calculated Property |
| η | 0.0004305 | Pa×s | 552.11 | Joback Calculated Property |
| η | 0.0003092 | Pa×s | 598.54 | Joback Calculated Property |
| η | 0.0002329 | Pa×s | 644.97 | Joback Calculated Property |
| η | 0.0001823 | Pa×s | 691.40 | Joback Calculated Property |
| η | 0.0001471 | Pa×s | 737.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylbutyric acid, 2,4-dichloro-6-formylphenyl ester.
Sources
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