- InChI
- InChI=1S/C7H4N2O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)
- InChI Key
- VYWYYJYRVSBHJQ-UHFFFAOYSA-N
- Formula
- C7H4N2O6
- SMILES
-
O=C(O)c1cc([N+](=O)[O-])cc([N+
](=O)[O-])c1 - Molecular Weight1
- 212.12
- CAS
- 99-34-3
- Other Names
-
- 2,4-dinitrobenzoic acid
- 3,5-Dinitrobenzoic acid
- 3-Carboxy-1,5-Dinitrobenzene
- DNBA
- Dinitrobenzoic acid
- benzoic acid, 2,4-dinitro-
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -2894.00 ± 0.40 | kJ/mol | NIST |
| ΔfG° | -93.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -260.55 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -432.60 ± 0.40 | kJ/mol | NIST |
| ΔfusH° | 30.60 | kJ/mol | Vapor p... |
| ΔvapH° | 91.38 | kJ/mol | Joback Calculated Property |
| log10WS | -2.42 | Aq. Sol... | |
| logPoct/wat | 1.201 | Crippen Calculated Property | |
| McVol | 128.010 | ml/mol | McGowan Calculated Property |
| Pc | 5029.93 | kPa | Joback Calculated Property |
| Tboil | 845.93 | K | Joback Calculated Property |
| Tc | 1098.09 | K | Joback Calculated Property |
| Tfus | 478.82 | K | Aq. Sol... |
| Vc | 0.508 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [337.32; 363.88] | J/mol×K | [845.93; 1098.09] | 
|
| Cp,gas | 337.32 | J/mol×K | 845.93 | Joback Calculated Property |
| Cp,gas | 343.27 | J/mol×K | 887.96 | Joback Calculated Property |
| Cp,gas | 348.56 | J/mol×K | 929.98 | Joback Calculated Property |
| Cp,gas | 353.23 | J/mol×K | 972.01 | Joback Calculated Property |
| Cp,gas | 357.31 | J/mol×K | 1014.04 | Joback Calculated Property |
| Cp,gas | 360.85 | J/mol×K | 1056.06 | Joback Calculated Property |
| Cp,gas | 363.88 | J/mol×K | 1098.09 | Joback Calculated Property |
| ΔfusH | 22.80 | kJ/mol | 480.40 | NIST |
Similar Compounds
Find more compounds similar to Benzoic acid, 3,5-dinitro-.
Mixtures
- Benzoic acid, 3,5-dinitro- + Carbon dioxide
- Benzoic acid, 3,5-dinitro- + Carbon dioxide + Benzoic acid, 3-nitro-
- Benzoic acid, 3,5-dinitro- + Acetone
- Benzoic acid, 3,5-dinitro- + Benzoic acid, 3-nitro- + Acetone
- Benzoic acid, 3,5-dinitro- + Carbon dioxide + Ethanol
- Benzoic acid, 3,5-dinitro- + Carbon dioxide + Ethyl Acetate
- Benzoic acid, 3,5-dinitro- + Carbon dioxide + 1,2-Ethanediol
- 1-Propanol + Benzoic acid, 3,5-dinitro- + Carbon dioxide
Sources
- Crippen Method
- Vapor pressures and standard molar enthalpies, entropies, and Gibbs free energies of sublimation of 2,4- and 3,4-dinitrobenzoic acids
- Determination and modeling of binary and ternary solid-liquid phase equilibrium for the systems formed by 3,5-dinitrobenzoic acid, m-nitrobenzoic acid and acetone
- Equilibrium solubility of pure and mixed 3,5-dinitrobenzoic acid and 3-nitrobenzoic acid in supercritical carbon dioxide
- Solubility of 3,5-Dinitrobenzoic Acid in Supercritical Carbon Dioxide with Cosolvent at Temperatures from (308 to 328) K and Pressures from (10.0 to 21.0) MPa
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.