Chemical Properties of Benzenepropanoic acid, 3-phenyl-2-propenyl ester (CAS 28048-98-8)

InChI

InChI=1S/C18H18O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-12H,13-15H2/b12-7+

InChI Key

SYPODLJMXGVBQI-KPKJPENVSA-N

Formula

C18H18O2

SMILES

O=C(CCc1ccccc1)OCC=Cc1ccccc1

Molecular Weight¹

266.33

CAS

28048-98-8

Other Names

• Cinnamyl-«beta»-phenylpropionate
• Cinnamyl 3-phenylpropanoate

• 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°	35.03	kJ/mol	Joback Calculated Property
ΔvapH°	99.25	kJ/mol	Relay (1.0) Calculated Property
IE	8.20	eV	Relay (1.0) Calculated Property
log10WS	-4.55		Relay (1.0) Calculated Property
logPoct/wat	3.876		Crippen Calculated Property
McVol	220.100	ml/mol	McGowan Calculated Property
Pc	2016.32	kPa	Joback Calculated Property
Inp	[2250.20; 2250.20]
Inp	2250.20		NIST
Inp	2250.20		NIST
Tboil	632.79	K	Relay (1.0) Calculated Property
Tfus	307.77	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	[597.58; 678.02]	J/mol×K	[727.18; 958.61]
Cp,gas	597.58	J/mol×K	727.18	Joback Calculated Property
Cp,gas	614.02	J/mol×K	765.75	Joback Calculated Property
Cp,gas	629.14	J/mol×K	804.32	Joback Calculated Property
Cp,gas	643.01	J/mol×K	842.89	Joback Calculated Property
Cp,gas	655.72	J/mol×K	881.46	Joback Calculated Property
Cp,gas	667.37	J/mol×K	920.04	Joback Calculated Property
Cp,gas	678.02	J/mol×K	958.61	Joback Calculated Property
η	[0.0000743; 0.0015192]	Pa×s	[382.71; 727.18]
η	0.0015192	Pa×s	382.71	Joback Calculated Property
η	0.0006618	Pa×s	440.12	Joback Calculated Property
η	0.0003492	Pa×s	497.53	Joback Calculated Property
η	0.0002103	Pa×s	554.95	Joback Calculated Property
η	0.0001393	Pa×s	612.36	Joback Calculated Property
η	0.0000990	Pa×s	669.77	Joback Calculated Property
η	0.0000743	Pa×s	727.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzenepropanoic acid, 3-phenyl-2-propenyl 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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