Chemical Properties of Benzenepentanoic acid, methyl ester

InChI

InChI=1S/C12H16O2/c1-14-12(13)10-6-5-9-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3

InChI Key

BNNWLDUOVGYRLY-UHFFFAOYSA-N

Formula

C12H16O2

SMILES

COC(=O)CCCCc1ccccc1

Molecular Weight¹

192.26

Other Names

• Valeric acid, 5-phenyl-, methyl ester
• Methyl 5-phenylvalerate

• 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	[219.13; 528.00]	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			-1.65160e+01
Coefficient B			1.01012e+00
Coefficient C			-5.65600e-04
Coefficient D			1.00000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	219.13	J/mol×K	273.00	Calculated Property
Cp,gas	274.48	J/mol×K	353.78	Calculated Property
Cp,gas	323.84	J/mol×K	434.56	Calculated Property
Cp,gas	367.51	J/mol×K	515.33	Calculated Property
Cp,gas	405.83	J/mol×K	596.11	Calculated Property
Cp,gas	439.09	J/mol×K	676.89	Calculated Property
Cp,gas	467.63	J/mol×K	757.67	Calculated Property
Cp,gas	491.74	J/mol×K	838.44	Calculated Property
Cp,gas	511.77	J/mol×K	919.22	Calculated Property
Cp,gas	528.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034193; 0.0001972]	Pa×s	[293.75; 533.85]	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			-1.20222e+01
Coefficient B			1.86350e+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.			293.75
Temperature range, max.			533.85
η	0.0034193	Pa×s	293.75	Calculated Property
η	0.0020163	Pa×s	320.43	Calculated Property
η	0.0012895	Pa×s	347.11	Calculated Property
η	0.0008791	Pa×s	373.78	Calculated Property
η	0.0006306	Pa×s	400.46	Calculated Property
η	0.0004716	Pa×s	427.14	Calculated Property
η	0.0003649	Pa×s	453.82	Calculated Property
η	0.0002905	Pa×s	480.50	Calculated Property
η	0.0002369	Pa×s	507.17	Calculated Property
η	0.0001972	Pa×s	533.85	Calculated Property

Similar Compounds

Find more compounds similar to Benzenepentanoic acid, methyl ester.

Sources

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

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