- InChI
- InChI=1S/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)
- InChI Key
- SLAMLWHELXOEJZ-UHFFFAOYSA-N
- Formula
- C7H5NO4
- SMILES
- O=C(O)c1ccccc1[N+](=O)[O-]
- Molecular Weight1
- 167.12
- CAS
- 552-16-9
- Other Names
-
- 2-Nitrobenzoic acid
- Benzoic acid, o-nitro-
- o-Nitrobenzoic acid
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 |
|---|---|---|---|
| ω | 0.7420 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-3077.70; -3071.00] | kJ/mol |
|
| ΔcH°solid | -3071.00 ± 0.63 | kJ/mol | NIST |
| ΔcH°solid | -3077.70 | kJ/mol | NIST |
| ΔfG° | -119.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -280.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -399.00 ± 0.63 | kJ/mol | NIST |
| ΔfusH° | 24.59 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 118.70 ± 0.50 | kJ/mol | NIST |
| ΔvapH° | 93.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.47 | Aq. Solubility Prediction | |
| logPoct/wat | 1.293 | Crippen Calculated Property | |
| McVol | 110.590 | ml/mol | McGowan Calculated Property |
| Pc | 5051.40 | kPa | Joback Calculated Property |
| Tboil | 543.78 | K | Relay (1.0) Calculated Property |
| Tc | 834.12 | K | Relay (1.0) Calculated Property |
| Tfus | [419.00; 420.80] | K |
|
| Tfus | 420.77 | K | Aq. Solubility Prediction |
| Tfus | 420.80 | K | Solid liquid phase equilibrium and phase diagram for ternary o-nitrobenzoic acid p-nitrobenzoic acid acetone system at 283.15K and 313.15K |
| Tfus | 420.20 | K | Solid-Liquid Phase Equilibrium and Phase Diagram for the Ternary o-Nitrobenzoic Acid + m-Nitrobenzoic Acid + Ethanol System |
| Tfus | 419.00 ± 0.30 | K | NIST |
| Vc | 0.384 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [268.39; 304.86] | J/mol×K | [689.11; 923.22] |
|
| Cp,gas | 268.39 | J/mol×K | 689.11 | Joback Calculated Property |
| Cp,gas | 275.94 | J/mol×K | 728.13 | Joback Calculated Property |
| Cp,gas | 282.85 | J/mol×K | 767.15 | Joback Calculated Property |
| Cp,gas | 289.17 | J/mol×K | 806.16 | Joback Calculated Property |
| Cp,gas | 294.92 | J/mol×K | 845.18 | Joback Calculated Property |
| Cp,gas | 300.14 | J/mol×K | 884.20 | Joback Calculated Property |
| Cp,gas | 304.86 | J/mol×K | 923.22 | Joback Calculated Property |
| Cp,solid | [190.00; 202.10] | J/mol×K | [297.90; 323.00] |
|
| Cp,solid | 190.00 | J/mol×K | 297.90 | NIST |
| Cp,solid | 191.60 | J/mol×K | 298.00 | NIST |
| Cp,solid | 202.10 | J/mol×K | 323.00 | NIST |
| ΔfusH | [27.99; 27.99] | kJ/mol | [419.00; 419.00] |
|
| ΔfusH | 27.99 | kJ/mol | 419.00 | NIST |
| ΔfusH | 27.99 | kJ/mol | 419.00 | NIST |
| ΔfusH | 27.99 | kJ/mol | 419.00 | NIST |
| ΔsubH | 115.80 ± 0.50 | kJ/mol | 351.00 | NIST |
| ΔfusS | 66.80 | J/mol×K | 419.00 | NIST |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-nitro-.
Mixtures
- Benzoic acid, 4-nitro- + Benzoic acid, 2-nitro- + Acetone
- Benzoic acid, 3-nitro- + Ethanol + Benzoic acid, 2-nitro-
- Benzoic acid, 2-nitro- + Water
- Carbon dioxide + Ethanol + Benzoic acid, 2-nitro-
- Carbon dioxide + Benzoic acid, 2-nitro- + Ethyl Acetate
- Benzoic acid, 2-nitro- + 1-Octanol
Sources
- Cheméo Relay (1.0)
- Crippen Method
- The effect of temperature on the solubility of benzoic acid derivatives in water
- Solid liquid phase equilibrium and phase diagram for ternary o-nitrobenzoic acid p-nitrobenzoic acid acetone system at 283.15K and 313.15K
- Solubility of o-Nitrobenzoic Acid in Modified Supercritical Carbon Dioxide at (308 to 328) K
- Solubilities of Benzoic Acid, p-Methylbenzoic Acid, m-Methylbenzoic Acid, o-Methylbenzoic Acid, p-Hydroxybenzoic Acid, and o-Nitrobenzoic Acid in 1-Octanol
- Solid-Liquid Phase Equilibrium and Phase Diagram for the Ternary o-Nitrobenzoic Acid + m-Nitrobenzoic Acid + Ethanol System
- 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.