Chemical Properties of Alpha-phenyl-o-toluic acid

InChI

InChI=1S/C14H12O2/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)

InChI Key

FESDHLLVLYZNFY-UHFFFAOYSA-N

Formula

C14H12O2

SMILES

O=C(O)c1ccccc1Cc1ccccc1

Molecular Weight¹

212.25

Other Names

• o-benzylbenzoic acid

• 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

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	[204.13; 512.29]	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			-5.87490e+01
Coefficient B			1.16730e+00
Coefficient C			-8.05760e-04
Coefficient D			2.09500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	204.13	J/mol×K	273.00	Calculated Property
Cp,gas	262.64	J/mol×K	353.78	Calculated Property
Cp,gas	313.54	J/mol×K	434.56	Calculated Property
Cp,gas	357.49	J/mol×K	515.33	Calculated Property
Cp,gas	395.14	J/mol×K	596.11	Calculated Property
Cp,gas	427.17	J/mol×K	676.89	Calculated Property
Cp,gas	454.24	J/mol×K	757.67	Calculated Property
Cp,gas	477.01	J/mol×K	838.44	Calculated Property
Cp,gas	496.14	J/mol×K	919.22	Calculated Property
Cp,gas	512.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023965; 0.0001744]	Pa×s	[391.15; 679.97]	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			-1.22032e+01
Coefficient B			2.41320e+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.			391.15
Temperature range, max.			679.97
η	0.0023965	Pa×s	391.15	Calculated Property
η	0.0015011	Pa×s	423.24	Calculated Property
η	0.0010044	Pa×s	455.33	Calculated Property
η	0.0007085	Pa×s	487.42	Calculated Property
η	0.0005218	Pa×s	519.51	Calculated Property
η	0.0003983	Pa×s	551.61	Calculated Property
η	0.0003131	Pa×s	583.70	Calculated Property
η	0.0002524	Pa×s	615.79	Calculated Property
η	0.0002079	Pa×s	647.88	Calculated Property
η	0.0001744	Pa×s	679.97	Calculated Property

Similar Compounds

Find more compounds similar to Alpha-phenyl-o-toluic acid.

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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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