Chemical Properties of BENZENEBUTANOIC ACID, .GAMMA.-OXO-, METHYL ESTER

InChI

InChI=1S/C11H12O3/c1-14-11(13)8-7-10(12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3

InChI Key

XVRCVKWYKYJEIG-UHFFFAOYSA-N

Formula

C11H12O3

SMILES

COC(=O)CCC(=O)c1ccccc1

Molecular Weight¹

192.21

Other Names

• Propionic acid, 3-benzoyl-, methyl ester
• Methyl 3-benzoylpropionate
• Methyl 3-benzoylpropanoate
• Propionic acid, beta-benzoyl-, methyl ester

• 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_boilr : Boiling point at reduced pressure (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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[198.84; 465.43]	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			-8.24800e+00
Coefficient B			8.87120e-01
Coefficient C			-4.92500e-04
Coefficient D			7.90600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	198.84	J/mol×K	273.00	Calculated Property
Cp,gas	247.46	J/mol×K	353.78	Calculated Property
Cp,gas	290.74	J/mol×K	434.56	Calculated Property
Cp,gas	328.94	J/mol×K	515.33	Calculated Property
Cp,gas	362.31	J/mol×K	596.11	Calculated Property
Cp,gas	391.10	J/mol×K	676.89	Calculated Property
Cp,gas	415.56	J/mol×K	757.67	Calculated Property
Cp,gas	435.93	J/mol×K	838.44	Calculated Property
Cp,gas	452.47	J/mol×K	919.22	Calculated Property
Cp,gas	465.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027095; 0.0002256]	Pa×s	[332.41; 563.36]	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			-1.19744e+01
Coefficient B			2.01553e+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.			332.41
Temperature range, max.			563.36
η	0.0027095	Pa×s	332.41	Calculated Property
η	0.0017546	Pa×s	358.07	Calculated Property
η	0.0012042	Pa×s	383.73	Calculated Property
η	0.0008664	Pa×s	409.39	Calculated Property
η	0.0006480	Pa×s	435.05	Calculated Property
η	0.0005007	Pa×s	460.71	Calculated Property
η	0.0003975	Pa×s	486.37	Calculated Property
η	0.0003229	Pa×s	512.03	Calculated Property
η	0.0002676	Pa×s	537.69	Calculated Property
η	0.0002256	Pa×s	563.36	Calculated Property

Similar Compounds

Find more compounds similar to BENZENEBUTANOIC ACID, .GAMMA.-OXO-, METHYL ESTER.

Sources

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

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