Chemical Properties of Methyl-p-phneylbenzoate

InChI

InChI=1S/C14H12O2/c1-16-14(15)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3

InChI Key

GATUGNVDXMYTJX-UHFFFAOYSA-N

Formula

C14H12O2

SMILES

COC(=O)c1ccc(-c2ccccc2)cc1

Molecular Weight¹

212.25

Other Names

• 4-Biphenylcarboxylic acid, methyl ester
• Methyl (1,1'-biphenyl)-4-carboxylate
• Methyl 4-biphenylcarboxylate
• Methyl biphenyl-4-carboxylate
• Methyl p-phenylbenzoate
• Methyl-4-phenylbenzoate
• [1,1'-Biphenyl]-4-carboxylic acid, methyl ester
• p-Phenylbenzoic acid methyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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

Property	Value	Unit	Source
ω	0.5506		Relay (1.0) Calculated Property
ΔfH°gas	-167.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.08	kJ/mol	Joback Calculated Property
ΔvapH°	92.66	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-4.24		Relay (1.0) Calculated Property
logPoct/wat	3.140		Crippen Calculated Property
McVol	168.040	ml/mol	McGowan Calculated Property
Pc	2741.15	kPa	Joback Calculated Property
Tboil	603.16	K	Relay (1.0) Calculated Property
Tc	833.79	K	Relay (1.0) Calculated Property
Tfus	[390.00; 391.15]	K
Tfus	391.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	390.00 ± 3.00	K	NIST
Vc	0.615	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[206.85; 509.62]	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			-3.79400e+01
Coefficient B			1.06172e+00
Coefficient C			-6.38560e-04
Coefficient D			1.24400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	206.85	J/mol×K	273.00	Calculated Property
Cp,gas	263.26	J/mol×K	353.78	Calculated Property
Cp,gas	313.06	J/mol×K	434.56	Calculated Property
Cp,gas	356.64	J/mol×K	515.33	Calculated Property
Cp,gas	394.40	J/mol×K	596.11	Calculated Property
Cp,gas	426.73	J/mol×K	676.89	Calculated Property
Cp,gas	454.03	J/mol×K	757.67	Calculated Property
Cp,gas	476.68	J/mol×K	838.44	Calculated Property
Cp,gas	495.08	J/mol×K	919.22	Calculated Property
Cp,gas	509.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010042; 0.0001503]	Pa×s	[390.57; 614.84]	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			-1.21112e+01
Coefficient B			2.03398e+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.			390.57
Temperature range, max.			614.84
η	0.0010042	Pa×s	390.57	Calculated Property
η	0.0007348	Pa×s	415.49	Calculated Property
η	0.0005570	Pa×s	440.41	Calculated Property
η	0.0004350	Pa×s	465.33	Calculated Property
η	0.0003483	Pa×s	490.25	Calculated Property
η	0.0002850	Pa×s	515.17	Calculated Property
η	0.0002375	Pa×s	540.09	Calculated Property
η	0.0002012	Pa×s	565.01	Calculated Property
η	0.0001728	Pa×s	589.92	Calculated Property
η	0.0001503	Pa×s	614.84	Calculated Property

Similar Compounds

Find more compounds similar to Methyl-p-phneylbenzoate.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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