Chemical Properties of Benzenepropanoic acid, «beta»-phenyl- (CAS 606-83-7)

InChI

InChI=1S/C15H14O2/c16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,16,17)

InChI Key

BZQGAPWJKAYCHR-UHFFFAOYSA-N

Formula

C15H14O2

SMILES

O=C(O)CC(c1ccccc1)c1ccccc1

Molecular Weight¹

226.27

CAS

606-83-7

Other Names

• «beta»-Phenylbenzenepropanoic acid
• 3,3-Diphenylpropionic acid
• «beta»,«beta»-Diphenylpropionic acid
• Diphenylpropionic acid
• Hydrocinnamic acid, «beta»-phenyl-
• Propionic acid, 3,3-diphenyl-
• 3,3-Diphenylpropanoic acid

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[222.48; 567.46]	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			-7.56390e+01
Coefficient B			1.32770e+00
Coefficient C			-9.30400e-04
Coefficient D			2.45800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	222.48	J/mol×K	273.00	Calculated Property
Cp,gas	288.51	J/mol×K	353.78	Calculated Property
Cp,gas	345.80	J/mol×K	434.56	Calculated Property
Cp,gas	395.12	J/mol×K	515.33	Calculated Property
Cp,gas	437.27	J/mol×K	596.11	Calculated Property
Cp,gas	473.01	J/mol×K	676.89	Calculated Property
Cp,gas	503.12	J/mol×K	757.67	Calculated Property
Cp,gas	528.38	J/mol×K	838.44	Calculated Property
Cp,gas	549.57	J/mol×K	919.22	Calculated Property
Cp,gas	567.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010201; 0.0001491]	Pa×s	[457.25; 691.35]	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			-1.25662e+01
Coefficient B			2.59644e+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.			457.25
Temperature range, max.			691.35
η	0.0010201	Pa×s	457.25	Calculated Property
η	0.0007514	Pa×s	483.26	Calculated Property
η	0.0005711	Pa×s	509.27	Calculated Property
η	0.0004458	Pa×s	535.28	Calculated Property
η	0.0003560	Pa×s	561.30	Calculated Property
η	0.0002901	Pa×s	587.31	Calculated Property
η	0.0002405	Pa×s	613.32	Calculated Property
η	0.0002024	Pa×s	639.33	Calculated Property
η	0.0001727	Pa×s	665.34	Calculated Property
η	0.0001491	Pa×s	691.35	Calculated Property

Similar Compounds

Find more compounds similar to Benzenepropanoic acid, «beta»-phenyl-.

Sources

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

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