- 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
- 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).
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| 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 | -238.32 | kJ/mol | Joback 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° | 74.13 | kJ/mol | Joback Calculated Property |
| log10WS | -1.47 | Aq. Sol... | |
| logPoct/wat | 1.293 | Crippen Calculated Property | |
| McVol | 110.590 | ml/mol | McGowan Calculated Property |
| Pc | 5051.40 | kPa | Joback Calculated Property |
| Tboil | 689.11 | K | Joback Calculated Property |
| Tc | 923.22 | K | Joback Calculated Property |
| Tfus | [419.00; 420.80] | K |
|
| Tfus | 420.77 | K | Aq. Sol... |
| Tfus | 420.80 | K | Solid l... |
| Tfus | 420.20 | K | Solid-L... |
| Tfus | 419.00 ± 0.30 | K | NIST |
| Vc | 0.426 | m3/kmol | Joback 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
- 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
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