- InChI
- InChI=1S/C9H10O2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
- InChI Key
- GJMPSRSMBJLKKB-UHFFFAOYSA-N
- Formula
- C9H10O2
- SMILES
- Cc1cccc(CC(=O)O)c1
- Molecular Weight1
- 150.17
- CAS
- 621-36-3
- Other Names
-
- 3-Methylphenylacetic acid
- Benzeneacetic acid, 3-methyl-
- m-Methylphenylacetic 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.6724 | Relay (1.0) Calculated Property | |
| ΔfG° | -216.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -350.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.67 | 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 | 546.45 | K | Relay (1.0) Calculated Property |
| Tc | 773.70 | K | Relay (1.0) Calculated Property |
| Tfus | 332.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.440 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [283.08; 340.38] | J/mol×K | [582.69; 807.80] | 
|
| Cp,gas | 283.08 | J/mol×K | 582.69 | Joback Calculated Property |
| Cp,gas | 294.41 | J/mol×K | 620.21 | Joback Calculated Property |
| Cp,gas | 304.97 | J/mol×K | 657.73 | Joback Calculated Property |
| Cp,gas | 314.81 | J/mol×K | 695.25 | Joback Calculated Property |
| Cp,gas | 323.96 | J/mol×K | 732.77 | Joback Calculated Property |
| Cp,gas | 332.47 | J/mol×K | 770.29 | Joback Calculated Property |
| Cp,gas | 340.38 | J/mol×K | 807.80 | Joback Calculated Property |
| η | [0.0002262; 0.0011312] | Pa×s | [390.73; 582.69] |
|
| η | 0.0011312 | Pa×s | 390.73 | Joback Calculated Property |
| η | 0.0007815 | Pa×s | 422.72 | Joback Calculated Property |
| η | 0.0005688 | Pa×s | 454.72 | Joback Calculated Property |
| η | 0.0004316 | Pa×s | 486.71 | Joback Calculated Property |
| η | 0.0003389 | Pa×s | 518.70 | Joback Calculated Property |
| η | 0.0002736 | Pa×s | 550.70 | Joback Calculated Property |
| η | 0.0002262 | Pa×s | 582.69 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 394.70 | K | 3.50 | NIST |
Similar Compounds
Find more compounds similar to m-Tolylacetic acid.
Sources
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