- InChI
- InChI=1S/C8H7NO4/c1-5-2-3-7(9(12)13)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
- InChI Key
- QRRSIFNWHCKMSW-UHFFFAOYSA-N
- Formula
- C8H7NO4
- SMILES
-
Cc1ccc([N+](=O)[O-])c(C(=O)O)c
1 - Molecular Weight1
- 181.15
- CAS
- 3113-72-2
- Other Names
-
- 2-Methyl-3-nitrobenzoic acid
- 5-methyl-2-nitrobenzoic acid
- 6-nitro-m-toluic acid
- 6-nitro-p-toluic acid
- benzoic acid, 5-methyl-2-nitro-
- m-Toluic acid, 6-nitro-
- 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.
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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 3-Methyl-6-nitrobenzoic acid.
Mixtures
- Water + 3-Methyl-6-nitrobenzoic acid
- Methyl Alcohol + 3-Methyl-6-nitrobenzoic acid
- Ethanol + 3-Methyl-6-nitrobenzoic acid
- 1-Propanol + 3-Methyl-6-nitrobenzoic acid
- Formic acid + 3-Methyl-6-nitrobenzoic acid
- Acetic acid + 3-Methyl-6-nitrobenzoic acid
- Propanoic acid + 3-Methyl-6-nitrobenzoic acid
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
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