- InChI
- InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)
- InChI Key
- GPSDUZXPYCFOSQ-UHFFFAOYSA-N
- Formula
- C8H8O2
- SMILES
- Cc1cccc(C(=O)O)c1
- Molecular Weight1
- 136.15
- Other Names
-
- 3-methylbenzoic acid
- benzoic acid, 3-methyl-
- m-Methylbenzoic acid
- m-Toluylic acid
- meta-Toluic acid
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- η : Dynamic viscosity (Pa×s).
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ω | 0.6555 | Relay (1.0) Calculated Property | |
| PAff | 829.80 | kJ/mol | NIST |
| BasG | 798.80 | kJ/mol | NIST |
| ΔcH°solid | [-3866.50; -3862.00] | kJ/mol |
|
| ΔcH°solid | -3866.50 ± 0.90 | kJ/mol | NIST |
| ΔcH°solid | -3865.30 ± 0.79 | kJ/mol | NIST |
| ΔcH°solid | -3862.00 | kJ/mol | NIST |
| ΔfG° | -224.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-329.10; -327.90] | kJ/mol |
|
| ΔfH°gas | -327.90 ± 1.40 | kJ/mol | NIST |
| ΔfH°gas | -329.10 | kJ/mol | NIST |
| ΔfH°solid | [-426.10; -424.90] | kJ/mol |
|
| ΔfH°solid | -424.90 ± 1.40 | kJ/mol | NIST |
| ΔfH°solid | -426.10 ± 0.96 | kJ/mol | NIST |
| ΔfusH° | 20.27 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [97.00; 97.00] | kJ/mol |
|
| ΔsubH° | 97.00 ± 0.30 | kJ/mol | NIST |
| ΔsubH° | 97.00 ± 0.30 | kJ/mol | NIST |
| ΔsubH° | 97.00 | kJ/mol | NIST |
| ΔsubH° | 97.00 ± 0.30 | kJ/mol | NIST |
| ΔsubH° | 97.00 ± 0.30 | kJ/mol | NIST |
| ΔsubH° | 97.00 | kJ/mol | NIST |
| ΔvapH° | 83.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 ± 0.20 | eV | NIST |
| log10WS | -2.14 | Aq. Solubility Prediction | |
| logPoct/wat | 1.693 | Crippen Calculated Property | |
| McVol | 107.260 | ml/mol | McGowan Calculated Property |
| Pc | 4000.70 | kPa | Joback Calculated Property |
| Inp | [1249.00; 1325.00] |
|
|
| Inp | 1249.00 | NIST | |
| Inp | 1325.00 | NIST | |
| Tboil | 536.20 | K | NIST |
| Tc | 771.00 | K | Vapor-liquid critical point measurements of fifteen compounds by the pulse-heating method |
| Tfus | [381.90; 384.40] | K |
|
| Tfus | 382.40 | K | Abraham model correlations for describing the thermodynamic properties of solute transfer into pentyl acetate based on headspace chromatographic and solubility measurements |
| Tfus | 383.07 | K | Aq. Solubility Prediction |
| Tfus | 384.00 ± 1.50 | K | NIST |
| Tfus | 384.40 ± 2.00 | K | NIST |
| Tfus | 381.90 ± 0.20 | K | NIST |
| Tfus | 381.90 ± 0.20 | K | NIST |
| Vc | 0.388 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.47; 290.51] | J/mol×K | [559.81; 789.26] |
|
| Cp,gas | 238.47 | J/mol×K | 559.81 | Joback Calculated Property |
| Cp,gas | 248.82 | J/mol×K | 598.05 | Joback Calculated Property |
| Cp,gas | 258.45 | J/mol×K | 636.29 | Joback Calculated Property |
| Cp,gas | 267.39 | J/mol×K | 674.53 | Joback Calculated Property |
| Cp,gas | 275.69 | J/mol×K | 712.77 | Joback Calculated Property |
| Cp,gas | 283.38 | J/mol×K | 751.02 | Joback Calculated Property |
| Cp,gas | 290.51 | J/mol×K | 789.26 | Joback Calculated Property |
| Cp,solid | 163.60 | J/mol×K | 298.00 | NIST |
| η | [0.0002418; 0.0011288] | Pa×s | [379.46; 559.81] |
|
| η | 0.0011288 | Pa×s | 379.46 | Joback Calculated Property |
| η | 0.0007946 | Pa×s | 409.52 | Joback Calculated Property |
| η | 0.0005869 | Pa×s | 439.58 | Joback Calculated Property |
| η | 0.0004506 | Pa×s | 469.63 | Joback Calculated Property |
| η | 0.0003571 | Pa×s | 499.69 | Joback Calculated Property |
| η | 0.0002906 | Pa×s | 529.75 | Joback Calculated Property |
| η | 0.0002418 | Pa×s | 559.81 | Joback Calculated Property |
| ΔfusH | [15.73; 15.73] | kJ/mol | [381.90; 381.90] |
|
| ΔfusH | 15.73 | kJ/mol | 381.90 | NIST |
| ΔfusH | 15.73 | kJ/mol | 381.90 | NIST |
| ΔfusH | 15.73 | kJ/mol | 381.90 | NIST |
| ΔfusH | 15.73 | kJ/mol | 381.90 | NIST |
| ΔvapH | 62.80 | kJ/mol | 503.00 | NIST |
| ΔfusS | [41.20; 41.20] | J/mol×K | [381.90; 381.90] |
|
| ΔfusS | 41.20 | J/mol×K | 381.90 | NIST |
| ΔfusS | 41.20 | J/mol×K | 381.90 | NIST |
Similar Compounds
Find more compounds similar to M-TOLUIC ACID.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- The effect of temperature on the solubility of benzoic acid derivatives in water
- Vapor-liquid critical point measurements of fifteen compounds by the pulse-heating method
- Abraham model correlations for describing the thermodynamic properties of solute transfer into pentyl acetate based on headspace chromatographic and solubility measurements
- Solubilities of Benzoic Acid, p-Methylbenzoic Acid, m-Methylbenzoic Acid, o-Methylbenzoic Acid, p-Hydroxybenzoic Acid, and o-Nitrobenzoic Acid in 1-Octanol
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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