- InChI
- InChI=1S/C7H3ClN2O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H
- InChI Key
- NNOHXABAQAGKRZ-UHFFFAOYSA-N
- Formula
- C7H3ClN2O5
- SMILES
-
O=C(Cl)c1cc([N+](=O)[O-])cc([N
+](=O)[O-])c1 - Molecular Weight1
- 230.56
- CAS
- 99-33-2
- Other Names
-
- 3,5-Dinitrobenzoic acid chloride
- 3,5-Dinitrobenzoyl chloride
- 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).
- Tboilr : Boiling point at reduced pressure (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° | 31.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -124.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.09 | kJ/mol | Joback Calculated Property |
| log10WS | -3.66 | Crippen Calculated Property | |
| logPoct/wat | 1.882 | Crippen Calculated Property | |
| McVol | 134.380 | ml/mol | McGowan Calculated Property |
| Pc | 4222.04 | kPa | Joback Calculated Property |
| Inp | 1706.00 | NIST | |
| Tboil | 791.18 | K | Joback Calculated Property |
| Tc | 1070.74 | K | Joback Calculated Property |
| Tfus | 587.18 | K | Joback Calculated Property |
| Vc | 0.538 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [320.45; 350.92] | J/mol×K | [791.18; 1070.74] | 
|
| Cp,gas | 320.45 | J/mol×K | 791.18 | Joback Calculated Property |
| Cp,gas | 327.44 | J/mol×K | 837.77 | Joback Calculated Property |
| Cp,gas | 333.60 | J/mol×K | 884.37 | Joback Calculated Property |
| Cp,gas | 338.98 | J/mol×K | 930.96 | Joback Calculated Property |
| Cp,gas | 343.62 | J/mol×K | 977.55 | Joback Calculated Property |
| Cp,gas | 347.58 | J/mol×K | 1024.15 | Joback Calculated Property |
| Cp,gas | 350.92 | J/mol×K | 1070.74 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 469.20 | K | 1.50 | NIST |
Similar Compounds
Find more compounds similar to Benzoyl chloride, 3,5-dinitro-.
Sources
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