- InChI
- InChI=1S/C8H6ClNO4/c1-14-8(11)6-3-2-5(10(12)13)4-7(6)9/h2-4H,1H3
- InChI Key
- PICNSXCJRMYANX-UHFFFAOYSA-N
- Formula
- C8H6ClNO4
- SMILES
-
COC(=O)c1ccc([N+](=O)[O-])cc1C
l - Molecular Weight1
- 215.59
- CAS
- 13324-11-3
- Other Names
-
- Benzoic acid, 2-chloro-4-nitro-, methyl ester
- 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).
- 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° | -100.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -266.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.13 | kJ/mol | Joback Calculated Property |
| log10WS | -3.05 | Crippen Calculated Property | |
| logPoct/wat | 2.035 | Crippen Calculated Property | |
| McVol | 136.920 | ml/mol | McGowan Calculated Property |
| Pc | 3611.55 | kPa | Joback Calculated Property |
| Tboil | 684.64 | K | Joback Calculated Property |
| Tc | 935.81 | K | Joback Calculated Property |
| Tfus | 477.07 | K | Joback Calculated Property |
| Vc | 0.530 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [317.03; 362.23] | J/mol×K | [684.64; 935.81] | 
|
| Cp,gas | 317.03 | J/mol×K | 684.64 | Joback Calculated Property |
| Cp,gas | 326.49 | J/mol×K | 726.50 | Joback Calculated Property |
| Cp,gas | 335.16 | J/mol×K | 768.36 | Joback Calculated Property |
| Cp,gas | 343.06 | J/mol×K | 810.23 | Joback Calculated Property |
| Cp,gas | 350.20 | J/mol×K | 852.09 | Joback Calculated Property |
| Cp,gas | 356.59 | J/mol×K | 893.95 | Joback Calculated Property |
| Cp,gas | 362.23 | J/mol×K | 935.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 2-chloro-4-nitrobenzoate.
Sources
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