- InChI
- InChI=1S/C7H3ClN2O6/c8-6-4(7(11)12)1-3(9(13)14)2-5(6)10(15)16/h1-2H,(H,11,12)
- InChI Key
- ADTKEYLCJYYHHH-UHFFFAOYSA-N
- Formula
- C7H3ClN2O6
- SMILES
-
O=C(O)c1cc([N+](=O)[O-])cc([N+
](=O)[O-])c1Cl - Molecular Weight1
- 246.56
- CAS
- 2497-91-8
- Other Names
-
- Benzoic acid, 2-chloro-3,5-dinitro-
- 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° | -114.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -287.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.43 | kJ/mol | Joback Calculated Property |
| log10WS | -3.52 | Crippen Calculated Property | |
| logPoct/wat | 1.855 | Crippen Calculated Property | |
| McVol | 140.250 | ml/mol | McGowan Calculated Property |
| Pc | 4678.49 | kPa | Joback Calculated Property |
| Tboil | 513.70 | K | NIST |
| Tc | 1142.93 | K | Joback Calculated Property |
| Tfus | 660.52 | K | Joback Calculated Property |
| Vc | 0.557 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.36; 370.74] | J/mol×K | [888.34; 1142.93] | 
|
| Cp,gas | 349.36 | J/mol×K | 888.34 | Joback Calculated Property |
| Cp,gas | 354.38 | J/mol×K | 930.77 | Joback Calculated Property |
| Cp,gas | 358.77 | J/mol×K | 973.20 | Joback Calculated Property |
| Cp,gas | 362.57 | J/mol×K | 1015.64 | Joback Calculated Property |
| Cp,gas | 365.81 | J/mol×K | 1058.07 | Joback Calculated Property |
| Cp,gas | 368.52 | J/mol×K | 1100.50 | Joback Calculated Property |
| Cp,gas | 370.74 | J/mol×K | 1142.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chloro-3,5-dinitrobenzoic acid.
Sources
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