- InChI
- InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)
- InChI Key
- WHSXTWFYRGOBGO-UHFFFAOYSA-N
- Formula
- C8H8O3
- SMILES
- Cc1cccc(C(=O)O)c1O
- Molecular Weight1
- 152.15
- CAS
- 83-40-9
- Other Names
-
- 2,3-Cresotic acid
- 2,3-Cresotinic acid
- 2-Hydroxy-3-methylbenzoic acid
- 2-Hydroxy-m-toluic acid
- 3-MS
- 3-Methyl-2-hydroxybenzoic acid
- 3-Methylsalicylic acid
- 3-Methylsalycilic acid
- Acido 3-ossi-5-metil-benzoico
- Acido ortocresotinico
- Benzoic acid, 2-hydroxy-3-methyl-
- Cresotic acid
- Cresotinic acid
- Homosalicylic acid
- NSC 17561
- o-Cresotic acid
- o-Cresotinic acid
- o-Homosalicylic acid
- «beta»-Cresotinic acid
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -509.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.399 | Crippen Calculated Property | |
| McVol | 113.130 | ml/mol | McGowan Calculated Property |
| Tboil | 538.87 | K | Relay (1.0) Calculated Property |
| Tc | 820.15 | K | Relay (1.0) Calculated Property |
| Tfus | 432.00 ± 4.00 | K | NIST |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [151.00; 343.69] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.83100e+01 | |||
| Coefficient B | 8.30820e-01 | |||
| Coefficient C | -7.04520e-04 | |||
| Coefficient D | 2.45700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 151.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 188.32 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 219.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 246.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 268.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 287.47 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 303.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 317.84 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 330.94 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 343.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007923; 0.0000399] | Pa×s | [432.00; 615.70] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.71581e+01 | |||
| Coefficient B | 4.32760e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 432.00 | |||
| Temperature range, max. | 615.70 | |||
| η | 0.0007923 | Pa×s | 432.00 | Calculated Property |
| η | 0.0005042 | Pa×s | 452.41 | Calculated Property |
| η | 0.0003336 | Pa×s | 472.82 | Calculated Property |
| η | 0.0002285 | Pa×s | 493.23 | Calculated Property |
| η | 0.0001612 | Pa×s | 513.64 | Calculated Property |
| η | 0.0001168 | Pa×s | 534.05 | Calculated Property |
| η | 0.0000867 | Pa×s | 554.46 | Calculated Property |
| η | 0.0000657 | Pa×s | 574.87 | Calculated Property |
| η | 0.0000508 | Pa×s | 595.28 | Calculated Property |
| η | 0.0000399 | Pa×s | 615.70 | Calculated Property |
Similar Compounds
Find more compounds similar to Hydroxytoluic Acid.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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