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

InChI

InChI=1S/C22H20O3/c23-22(16-11-18-7-3-1-4-8-18)25-21-14-12-20(13-15-21)24-17-19-9-5-2-6-10-19/h1-10,12-15H,11,16-17H2

InChI Key

ROBBAEHOOIWETD-UHFFFAOYSA-N

Formula

C22H20O3

SMILES

O=C(CCc1ccccc1)Oc1ccc(OCc2ccccc2)cc1

Molecular Weight¹

332.40

• 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).
• 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).
• 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°	40.03	kJ/mol	Joback Calculated Property
ΔvapH°	115.62	kJ/mol	Relay (1.0) Calculated Property
IE	8.04	eV	Relay (1.0) Calculated Property
log10WS	-5.42		Relay (1.0) Calculated Property
logPoct/wat	4.804		Crippen Calculated Property
McVol	262.870	ml/mol	McGowan Calculated Property
Pc	1789.39	kPa	Joback Calculated Property
Inp	[2827.00; 2827.00]
Inp	2827.00		NIST
Inp	2827.00		NIST
Tboil	694.68	K	Relay (1.0) Calculated Property
Tfus	348.65	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation 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	[780.09; 846.69]	J/mol×K	[868.62; 1112.01]
Cp,gas	780.09	J/mol×K	868.62	Joback Calculated Property
Cp,gas	794.85	J/mol×K	909.19	Joback Calculated Property
Cp,gas	808.04	J/mol×K	949.75	Joback Calculated Property
Cp,gas	819.74	J/mol×K	990.32	Joback Calculated Property
Cp,gas	830.03	J/mol×K	1030.88	Joback Calculated Property
Cp,gas	838.99	J/mol×K	1071.45	Joback Calculated Property
Cp,gas	846.69	J/mol×K	1112.01	Joback Calculated Property
η	[0.0000396; 0.0005167]	Pa×s	[494.04; 868.62]
η	0.0005167	Pa×s	494.04	Joback Calculated Property
η	0.0002648	Pa×s	556.47	Joback Calculated Property
η	0.0001554	Pa×s	618.90	Joback Calculated Property
η	0.0001005	Pa×s	681.33	Joback Calculated Property
η	0.0000699	Pa×s	743.76	Joback Calculated Property
η	0.0000515	Pa×s	806.19	Joback Calculated Property
η	0.0000396	Pa×s	868.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Phenylpropionic acid, 4-benzyloxyphenyl 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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