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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[696.48; 768.69]	J/mol×K	[823.32; 1074.32]
Cp,gas	696.48	J/mol×K	823.32	Joback Calculated Property
Cp,gas	712.07	J/mol×K	865.15	Joback Calculated Property
Cp,gas	726.10	J/mol×K	906.99	Joback Calculated Property
Cp,gas	738.68	J/mol×K	948.82	Joback Calculated Property
Cp,gas	749.90	J/mol×K	990.66	Joback Calculated Property
Cp,gas	759.87	J/mol×K	1032.49	Joback Calculated Property
Cp,gas	768.69	J/mol×K	1074.32	Joback Calculated Property
η	[0.0000599; 0.0008136]	Pa×s	[460.54; 823.32]
η	0.0008136	Pa×s	460.54	Joback Calculated Property
η	0.0004093	Pa×s	521.00	Joback Calculated Property
η	0.0002375	Pa×s	581.47	Joback Calculated Property
η	0.0001527	Pa×s	641.93	Joback Calculated Property
η	0.0001059	Pa×s	702.39	Joback Calculated Property
η	0.0000779	Pa×s	762.86	Joback Calculated Property
η	0.0000599	Pa×s	823.32	Joback 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.
These property values are available through the Cheméo API. A free account gives you an access key.