- InChI
- InChI=1S/C10H12O2/c1-7-3-4-9(6-10(11)12)8(2)5-7/h3-5H,6H2,1-2H3,(H,11,12)
- InChI Key
- MWBXCWLRASBZFB-UHFFFAOYSA-N
- Formula
- C10H12O2
- SMILES
- Cc1ccc(CC(=O)O)c(C)c1
- Molecular Weight1
- 164.20
- Other Names
-
- 2,4-Dimethylphenylacetic acid
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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 | 0.7042 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -5150.10 | kJ/mol | NIST |
| ΔfG° | -217.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -385.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -504.20 | kJ/mol | NIST |
| ΔfusH° | 25.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.931 | Crippen Calculated Property | |
| McVol | 135.440 | ml/mol | McGowan Calculated Property |
| Pc | 3127.99 | kPa | Joback Calculated Property |
| Tboil | 558.00 | K | Relay (1.0) Calculated Property |
| Tc | 783.89 | K | Relay (1.0) Calculated Property |
| Tfus | 360.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.490 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [179.09; 421.41] | 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 | -6.90900e+00 | |||
| Coefficient B | 8.06740e-01 | |||
| Coefficient C | -4.89920e-04 | |||
| Coefficient D | 1.11500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 179.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 222.12 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 260.30 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 293.98 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 323.52 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 349.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 371.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 390.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 407.30 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 421.41 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009330; 0.0002396] | Pa×s | [414.52; 582.74] |
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 | -1.16859e+01 | |||
| Coefficient B | 1.95188e+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. | 414.52 | |||
| Temperature range, max. | 582.74 | |||
| η | 0.0009330 | Pa×s | 414.52 | Calculated Property |
| η | 0.0007615 | Pa×s | 433.21 | Calculated Property |
| η | 0.0006320 | Pa×s | 451.90 | Calculated Property |
| η | 0.0005324 | Pa×s | 470.59 | Calculated Property |
| η | 0.0004543 | Pa×s | 489.29 | Calculated Property |
| η | 0.0003923 | Pa×s | 507.98 | Calculated Property |
| η | 0.0003423 | Pa×s | 526.67 | Calculated Property |
| η | 0.0003015 | Pa×s | 545.36 | Calculated Property |
| η | 0.0002678 | Pa×s | 564.05 | Calculated Property |
| η | 0.0002396 | Pa×s | 582.74 | Calculated Property |
Similar Compounds
Find more compounds similar to BENZENEACETIC ACID, 2,4-DIMETHYL-.
Sources
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