Chemical Properties of o-Tolylacetic acid (CAS 644-36-0)

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
• o-Methylphenylacetic acid
• 2-Tolylacetic acid
• Benzeneacetic acid, 2-methyl-
• o-Tolyacetic acid

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[0.0011312; 0.0002500]	Pa×s	[390.73; 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
Temperature range, min.			390.73
Temperature range, max.			565.46
η	0.0011312	Pa×s	390.73	Calculated Property
η	0.0008976	Pa×s	410.14	Calculated Property
η	0.0007273	Pa×s	429.56	Calculated Property
η	0.0006002	Pa×s	448.97	Calculated Property
η	0.0005032	Pa×s	468.39	Calculated Property
η	0.0004278	Pa×s	487.80	Calculated Property
η	0.0003683	Pa×s	507.22	Calculated Property
η	0.0003206	Pa×s	526.63	Calculated Property
η	0.0002818	Pa×s	546.05	Calculated Property
η	0.0002500	Pa×s	565.46	Calculated Property

Similar Compounds

Find more compounds similar to o-Tolylacetic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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