- InChI
- InChI=1S/C9H10O2/c1-7-4-2-3-5-8(7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
- InChI Key
- RZWGTXHSYZGXKF-UHFFFAOYSA-N
- Formula
- C9H10O2
- SMILES
- Cc1ccccc1CC(=O)O
- Molecular Weight1
- 150.17
- CAS
- 644-36-0
- Other Names
-
- 2-Methylphenylacetic acid
- 2-Tolylacetic acid
- Benzeneacetic acid, 2-methyl-
- o-Methylphenylacetic acid
- o-Tolyacetic acid
- ω : Acentric Factor.
- Cp,gas : Ideal gas 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6678 | Relay (1.0) Calculated Property | |
| ΔfG° | -216.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -346.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.622 | Crippen Calculated Property | |
| McVol | 121.350 | ml/mol | McGowan Calculated Property |
| Pc | 3555.77 | kPa | Joback Calculated Property |
| Tboil | 544.99 | K | Relay (1.0) Calculated Property |
| Tc | 777.17 | K | Relay (1.0) Calculated Property |
| Tfus | 361.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.433 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [155.32; 372.86] | 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 | -2.02990e+01 | |||
| Coefficient B | 7.71220e-01 | |||
| Coefficient C | -5.02560e-04 | |||
| Coefficient D | 1.24500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 155.32 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 195.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 230.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 260.71 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 287.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 310.08 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 329.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 346.41 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 360.68 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 372.86 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016878; 0.0002500] | Pa×s | [361.15; 565.46] |
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 | -1.16702e+01 | |||
| Coefficient B | 1.90898e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 361.15 | |||
| Temperature range, max. | 565.46 | |||
| η | 0.0016878 | Pa×s | 361.15 | Calculated Property |
| η | 0.0012347 | Pa×s | 383.85 | Calculated Property |
| η | 0.0009353 | Pa×s | 406.55 | Calculated Property |
| η | 0.0007296 | Pa×s | 429.25 | Calculated Property |
| η | 0.0005836 | Pa×s | 451.96 | Calculated Property |
| η | 0.0004768 | Pa×s | 474.66 | Calculated Property |
| η | 0.0003969 | Pa×s | 497.36 | Calculated Property |
| η | 0.0003356 | Pa×s | 520.06 | Calculated Property |
| η | 0.0002879 | Pa×s | 542.76 | Calculated Property |
| η | 0.0002500 | Pa×s | 565.46 | Calculated Property |
Similar Compounds
Find more compounds similar to o-Tolylacetic acid.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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