Chemical Properties of 3-Phenylpropionic acid, 4-biphenyl ester

InChI

InChI=1S/C21H18O2/c22-21(16-11-17-7-3-1-4-8-17)23-20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1-10,12-15H,11,16H2

InChI Key

MVWUPRQPAKZDTD-UHFFFAOYSA-N

Formula

C21H18O2

SMILES

O=C(CCc1ccccc1)Oc1ccc(-c2ccccc2)cc1

Molecular Weight¹

302.37

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfusH°	36.25	kJ/mol	Joback Calculated Property
IE	7.96	eV	Relay (1.0) Calculated Property
log10WS	-5.73		Relay (1.0) Calculated Property
logPoct/wat	4.892		Crippen Calculated Property
McVol	242.910	ml/mol	McGowan Calculated Property
Pc	1973.55	kPa	Joback Calculated Property
Inp	[2777.00; 2777.00]
Inp	2777.00		NIST
Inp	2777.00		NIST
Tboil	687.44	K	Relay (1.0) Calculated Property
Tfus	376.01	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[298.09; 752.23]	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			-7.82080e+01
Coefficient B			1.64780e+00
Coefficient C			-1.05056e-03
Coefficient D			2.33200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	298.09	J/mol×K	273.00	Calculated Property
Cp,gas	383.59	J/mol×K	353.78	Calculated Property
Cp,gas	458.60	J/mol×K	434.56	Calculated Property
Cp,gas	523.88	J/mol×K	515.33	Calculated Property
Cp,gas	580.15	J/mol×K	596.11	Calculated Property
Cp,gas	628.15	J/mol×K	676.89	Calculated Property
Cp,gas	668.62	J/mol×K	757.67	Calculated Property
Cp,gas	702.30	J/mol×K	838.44	Calculated Property
Cp,gas	729.93	J/mol×K	919.22	Calculated Property
Cp,gas	752.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008136; 0.0000820]	Pa×s	[460.54; 752.03]	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			-1.30343e+01
Coefficient B			2.72652e+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.			460.54
Temperature range, max.			752.03
η	0.0008136	Pa×s	460.54	Calculated Property
η	0.0005514	Pa×s	492.93	Calculated Property
η	0.0003921	Pa×s	525.31	Calculated Property
η	0.0002900	Pa×s	557.70	Calculated Property
η	0.0002218	Pa×s	590.09	Calculated Property
η	0.0001744	Pa×s	622.48	Calculated Property
η	0.0001404	Pa×s	654.86	Calculated Property
η	0.0001154	Pa×s	687.25	Calculated Property
η	0.0000965	Pa×s	719.64	Calculated Property
η	0.0000820	Pa×s	752.03	Calculated Property

Similar Compounds

Find more compounds similar to 3-Phenylpropionic acid, 4-biphenyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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