Chemical Properties of 2-Propenoic acid, 3-phenyl-, 2-phenylethyl ester

InChI

InChI=1S/C17H16O2/c18-17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11-

InChI Key

MJQVZIANGRDJBT-VAWYXSNFSA-N

Formula

C17H16O2

SMILES

O=C(/C=C/c1ccccc1)OCCc1ccccc1

Molecular Weight¹

252.31

Other Names

• Cinnamic acid, phenethyl ester
• «beta»-Phenethyl cinnamate
• «beta»-Phenylethyl cinnamate
• Benzylcarbinyl cinnamate
• Phenethyl cinnamate
• Phenylethyl cinnamate
• 2-Phenylethyl cinnamate
• 2-Phenylethyl 3-phenyl-2-propenoate
• Cinnamic acid, phenylethyl ester
• NSC 16962

• 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).
• I_np : Non-polar retention indices.
• I : 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
ΔfH°gas	-116.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.44	kJ/mol	Joback Calculated Property
ΔvapH°	96.73	kJ/mol	Relay (1.0) Calculated Property
IE	8.54	eV	Relay (1.0) Calculated Property
log10WS	-4.87		Relay (1.0) Calculated Property
logPoct/wat	3.486		Crippen Calculated Property
McVol	206.010	ml/mol	McGowan Calculated Property
Pc	2202.08	kPa	Joback Calculated Property
Inp	[2125.00; 2158.00]
Inp	2158.00		NIST
Inp	2143.00		NIST
Inp	2150.00		NIST
Inp	2147.00		NIST
Inp	Outlier 2125.00		NIST
Inp	2150.00		NIST
I	3100.00		NIST
Tboil	638.75	K	Relay (1.0) Calculated Property
Tfus	315.59	K	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[543.99; 622.84]	J/mol×K	[704.30; 940.19]
Cp,gas	543.99	J/mol×K	704.30	Joback Calculated Property
Cp,gas	560.20	J/mol×K	743.62	Joback Calculated Property
Cp,gas	575.08	J/mol×K	782.93	Joback Calculated Property
Cp,gas	588.69	J/mol×K	822.25	Joback Calculated Property
Cp,gas	601.13	J/mol×K	861.56	Joback Calculated Property
Cp,gas	612.49	J/mol×K	900.88	Joback Calculated Property
Cp,gas	622.84	J/mol×K	940.19	Joback Calculated Property
η	[0.0000838; 0.0016535]	Pa×s	[371.44; 704.30]
η	0.0016535	Pa×s	371.44	Joback Calculated Property
η	0.0007282	Pa×s	426.92	Joback Calculated Property
η	0.0003873	Pa×s	482.39	Joback Calculated Property
η	0.0002346	Pa×s	537.87	Joback Calculated Property
η	0.0001561	Pa×s	593.35	Joback Calculated Property
η	0.0001114	Pa×s	648.82	Joback Calculated Property
η	0.0000838	Pa×s	704.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenoic acid, 3-phenyl-, 2-phenylethyl 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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