- InChI
- InChI=1S/C9H5Cl2NO2/c10-8(11)9(13)14-7-3-1-6(5-12)2-4-7/h1-4,8H
- InChI Key
- FZXOVVSGYFFISB-UHFFFAOYSA-N
- Formula
- C9H5Cl2NO2
- SMILES
- N#Cc1ccc(OC(=O)C(Cl)Cl)cc1
- Molecular Weight1
- 230.05
- 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° | 0.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -120.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.58 | kJ/mol | Joback Calculated Property |
| log10WS | -3.05 | Crippen Calculated Property | |
| logPoct/wat | 2.267 | Crippen Calculated Property | |
| McVol | 147.210 | ml/mol | McGowan Calculated Property |
| Pc | 3049.04 | kPa | Joback Calculated Property |
| Inp | 1593.00 | NIST | |
| Tboil | 689.77 | K | Joback Calculated Property |
| Tc | 933.64 | K | Joback Calculated Property |
| Tfus | 412.12 | K | Joback Calculated Property |
| Vc | 0.574 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [316.89; 356.47] | J/mol×K | [689.77; 933.64] | 
|
| Cp,gas | 316.89 | J/mol×K | 689.77 | Joback Calculated Property |
| Cp,gas | 325.22 | J/mol×K | 730.41 | Joback Calculated Property |
| Cp,gas | 332.84 | J/mol×K | 771.06 | Joback Calculated Property |
| Cp,gas | 339.75 | J/mol×K | 811.70 | Joback Calculated Property |
| Cp,gas | 345.98 | J/mol×K | 852.35 | Joback Calculated Property |
| Cp,gas | 351.55 | J/mol×K | 892.99 | Joback Calculated Property |
| Cp,gas | 356.47 | J/mol×K | 933.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dichloroacetic acid, 4-cyanophenyl ester.
Sources
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