Chemical Properties of 3-Methylcinnamic acid (CAS 3029-79-6)

InChI

InChI=1S/C10H10O2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h2-7H,1H3,(H,11,12)/b6-5+

InChI Key

JZINNAKNHHQBOS-AATRIKPKSA-N

Formula

C10H10O2

SMILES

Cc1cccc(C=CC(=O)O)c1

Molecular Weight¹

162.19

CAS

3029-79-6

Other Names

• 2-Propenoic acid, 3-(3-methylphenyl)-
• Cinnamic acid, m-methyl-
• m-Methylcinnamic 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	[162.53; 393.87]	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			-3.53900e+01
Coefficient B			8.86220e-01
Coefficient C			-6.40760e-04
Coefficient D			1.83800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	162.53	J/mol×K	273.00	Calculated Property
Cp,gas	206.08	J/mol×K	353.78	Calculated Property
Cp,gas	243.80	J/mol×K	434.56	Calculated Property
Cp,gas	276.30	J/mol×K	515.33	Calculated Property
Cp,gas	304.14	J/mol×K	596.11	Calculated Property
Cp,gas	327.90	J/mol×K	676.89	Calculated Property
Cp,gas	348.18	J/mol×K	757.67	Calculated Property
Cp,gas	365.54	J/mol×K	838.44	Calculated Property
Cp,gas	380.58	J/mol×K	919.22	Calculated Property
Cp,gas	393.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010165; 0.0002007]	Pa×s	[396.92; 588.27]	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			-1.18782e+01
Coefficient B			1.97938e+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.			396.92
Temperature range, max.			588.27
η	0.0010165	Pa×s	396.92	Calculated Property
η	0.0007889	Pa×s	418.18	Calculated Property
η	0.0006274	Pa×s	439.44	Calculated Property
η	0.0005096	Pa×s	460.70	Calculated Property
η	0.0004217	Pa×s	481.96	Calculated Property
η	0.0003545	Pa×s	503.22	Calculated Property
η	0.0003022	Pa×s	524.48	Calculated Property
η	0.0002609	Pa×s	545.74	Calculated Property
η	0.0002277	Pa×s	567.00	Calculated Property
η	0.0002007	Pa×s	588.27	Calculated Property

Similar Compounds

Find more compounds similar to 3-Methylcinnamic acid.

Sources

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

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