- InChI
- InChI=1S/C8H5Cl2NO4/c9-7(10)8(12)15-6-3-1-5(2-4-6)11(13)14/h1-4,7H
- InChI Key
- PXRGBMOGEXCISN-UHFFFAOYSA-N
- Formula
- C8H5Cl2NO4
- SMILES
-
O=C(Oc1ccc([N+](=O)[O-])cc1)C(
Cl)Cl - Molecular Weight1
- 250.04
- 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° | -105.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -275.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.47 | kJ/mol | Joback Calculated Property |
| log10WS | -3.35 | Crippen Calculated Property | |
| logPoct/wat | 2.304 | Crippen Calculated Property | |
| McVol | 149.160 | ml/mol | McGowan Calculated Property |
| Pc | 3551.53 | kPa | Joback Calculated Property |
| Inp | 1707.00 | NIST | |
| Tboil | 716.65 | K | Joback Calculated Property |
| Tc | 974.41 | K | Joback Calculated Property |
| Tfus | 479.47 | K | Joback Calculated Property |
| Vc | 0.574 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [338.71; 378.87] | J/mol×K | [716.65; 974.41] | 
|
| Cp,gas | 338.71 | J/mol×K | 716.65 | Joback Calculated Property |
| Cp,gas | 347.49 | J/mol×K | 759.61 | Joback Calculated Property |
| Cp,gas | 355.40 | J/mol×K | 802.57 | Joback Calculated Property |
| Cp,gas | 362.46 | J/mol×K | 845.53 | Joback Calculated Property |
| Cp,gas | 368.71 | J/mol×K | 888.49 | Joback Calculated Property |
| Cp,gas | 374.17 | J/mol×K | 931.45 | Joback Calculated Property |
| Cp,gas | 378.87 | J/mol×K | 974.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dichloroacetic acid, 4-nitrophenyl ester.
Sources
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