- 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
- CAS
- 99-04-7
- Other Names
-
- 3-Methylbenzoic acid
- m-Methylbenzoic acid
- m-Toluic acid
- m-Toluylic acid
- meta-Toluic acid
- 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 |
|---|---|---|---|
| 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° | -146.48 | 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° | 15.81 | 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 |
| ΔvapH° | 59.77 | kJ/mol | Joback Calculated Property |
| IE | 9.40 ± 0.20 | eV | NIST |
| log10WS | -2.14 | Aq. Sol... | |
| logPoct/wat | 1.693 | Crippen Calculated Property | |
| McVol | 107.260 | ml/mol | McGowan Calculated Property |
| Pc | 4356.87 | 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-l... |
| Tfus | [381.90; 384.40] | K |
|
| Tfus | 383.07 | K | Aq. Sol... |
| Tfus | 382.40 | K | Abraham... |
| Tfus | 384.00 ± 1.50 | K | NIST |
| Tfus | 384.40 ± 2.00 | K | NIST |
| Tfus | 381.90 ± 0.20 | K | NIST |
| Vc | 0.401 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [235.84; 283.75] | J/mol×K | [560.15; 767.50] |
|
| Cp,gas | 235.84 | J/mol×K | 560.15 | Joback Calculated Property |
| Cp,gas | 245.16 | J/mol×K | 594.71 | Joback Calculated Property |
| Cp,gas | 253.91 | J/mol×K | 629.27 | Joback Calculated Property |
| Cp,gas | 262.13 | J/mol×K | 663.82 | Joback Calculated Property |
| Cp,gas | 269.83 | J/mol×K | 698.38 | Joback Calculated Property |
| Cp,gas | 277.03 | J/mol×K | 732.94 | Joback Calculated Property |
| Cp,gas | 283.75 | J/mol×K | 767.50 | Joback Calculated Property |
| Cp,solid | 163.60 | J/mol×K | 298.00 | NIST |
| η | [0.0001208; 0.0051891] | Pa×s | [329.61; 560.15] |
|
| η | 0.0051891 | Pa×s | 329.61 | Joback Calculated Property |
| η | 0.0019990 | Pa×s | 368.03 | Joback Calculated Property |
| η | 0.0009222 | Pa×s | 406.46 | Joback Calculated Property |
| η | 0.0004863 | Pa×s | 444.88 | Joback Calculated Property |
| η | 0.0002839 | Pa×s | 483.30 | Joback Calculated Property |
| η | 0.0001794 | Pa×s | 521.73 | Joback Calculated Property |
| η | 0.0001208 | Pa×s | 560.15 | 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 |
| ΔvapH | 62.80 | kJ/mol | 503.00 | NIST |
| ΔfusS | 41.20 | J/mol×K | 381.90 | NIST |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-methyl-.
Mixtures
- Acetic acid, pentyl ester + Benzoic acid, 3-methyl-
- Benzoic acid, 3-methyl- + Water
- 1-Octanol + Benzoic acid, 3-methyl-
Sources
- 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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