- InChI
- InChI=1S/C8H7NO4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3,(H,10,11)
- InChI Key
- DGDAVTPQCQXLGU-UHFFFAOYSA-N
- Formula
- C8H7NO4
- SMILES
- Cc1cccc(C(=O)O)c1[N+](=O)[O-]
- Molecular Weight1
- 181.15
- CAS
- 5437-38-7
- Other Names
-
- 2-nitro-m-toluic acid
- 3-methyl-2-nitrobenzoic acid
- 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.
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 |
|---|---|---|---|
| ΔfG° | -120.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -270.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.02 | kJ/mol | Joback Calculated Property |
| log10WS | -2.66 | Crippen Calculated Property | |
| logPoct/wat | 1.601 | Crippen Calculated Property | |
| McVol | 124.680 | ml/mol | McGowan Calculated Property |
| Pc | 4339.67 | kPa | Joback Calculated Property |
| Tboil | 716.97 | K | Joback Calculated Property |
| Tc | 947.46 | K | Joback Calculated Property |
| Tfus | 485.74 | K | Joback Calculated Property |
| Vc | 0.482 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [314.41; 354.89] | J/mol×K | [716.97; 947.46] | 
|
| Cp,gas | 314.41 | J/mol×K | 716.97 | Joback Calculated Property |
| Cp,gas | 322.66 | J/mol×K | 755.38 | Joback Calculated Property |
| Cp,gas | 330.28 | J/mol×K | 793.80 | Joback Calculated Property |
| Cp,gas | 337.28 | J/mol×K | 832.21 | Joback Calculated Property |
| Cp,gas | 343.70 | J/mol×K | 870.63 | Joback Calculated Property |
| Cp,gas | 349.56 | J/mol×K | 909.04 | Joback Calculated Property |
| Cp,gas | 354.89 | J/mol×K | 947.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-methyl-2-nitro-.
Mixtures
- Water + Benzoic acid, 3-methyl-2-nitro-
- Methyl Alcohol + Benzoic acid, 3-methyl-2-nitro-
- Ethanol + Benzoic acid, 3-methyl-2-nitro-
- 1-Propanol + Benzoic acid, 3-methyl-2-nitro-
- Formic acid + Benzoic acid, 3-methyl-2-nitro-
- Acetic acid + Benzoic acid, 3-methyl-2-nitro-
- Propanoic acid + Benzoic acid, 3-methyl-2-nitro-
Sources
- Crippen Method
- Crippen Method
- Study on the Solubilities of Mononitro-Substituted Products of Nitration of m-Toluic Acid in Several Solvents at Temperatures between 297.65 and 351.75 K
- Joback 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.