Chemical Properties of 3-(3-Methylphenyl)propionic acid (CAS 3751-48-2)

InChI

InChI=1S/C10H12O2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12)

InChI Key

VWXVTHDQAOAENP-UHFFFAOYSA-N

Formula

C10H12O2

SMILES

Cc1cccc(CCC(=O)O)c1

Molecular Weight¹

164.20

CAS

3751-48-2

Other Names

• Propionic acid, 3-[3-methylphenyl]-

• 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	[176.54; 424.45]	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			-2.12080e+01
Coefficient B			8.66220e-01
Coefficient C			-5.56960e-04
Coefficient D			1.36400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	176.54	J/mol×K	273.00	Calculated Property
Cp,gas	221.57	J/mol×K	353.78	Calculated Property
Cp,gas	261.23	J/mol×K	434.56	Calculated Property
Cp,gas	295.94	J/mol×K	515.33	Calculated Property
Cp,gas	326.13	J/mol×K	596.11	Calculated Property
Cp,gas	352.24	J/mol×K	676.89	Calculated Property
Cp,gas	374.70	J/mol×K	757.67	Calculated Property
Cp,gas	393.93	J/mol×K	838.44	Calculated Property
Cp,gas	410.37	J/mol×K	919.22	Calculated Property
Cp,gas	424.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011172; 0.0002441]	Pa×s	[402.00; 578.58]	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			-1.17799e+01
Coefficient B			2.00314e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			402.00
Temperature range, max.			578.58
η	0.0011172	Pa×s	402.00	Calculated Property
η	0.0008860	Pa×s	421.62	Calculated Property
η	0.0007172	Pa×s	441.24	Calculated Property
η	0.0005912	Pa×s	460.86	Calculated Property
η	0.0004950	Pa×s	480.48	Calculated Property
η	0.0004203	Pa×s	500.10	Calculated Property
η	0.0003614	Pa×s	519.72	Calculated Property
η	0.0003141	Pa×s	539.34	Calculated Property
η	0.0002757	Pa×s	558.96	Calculated Property
η	0.0002441	Pa×s	578.58	Calculated Property

Similar Compounds

Find more compounds similar to 3-(3-Methylphenyl)propionic acid.

Sources

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

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