Chemical Properties of (Z)-Ethyl cinnamate (CAS 4610-69-9)

InChI

InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8-

InChI Key

KBEBGUQPQBELIU-HJWRWDBZSA-N

Formula

C11H12O2

SMILES

CCOC(=O)C=Cc1ccccc1

Molecular Weight¹

176.21

CAS

4610-69-9

• ω : Acentric Factor.
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4702		Relay (1.0) Calculated Property
ΔfH°gas	-257.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.86	kJ/mol	Joback Calculated Property
ΔvapH°	66.32	kJ/mol	Relay (1.0) Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
log10WS	-3.07		Relay (1.0) Calculated Property
logPoct/wat	2.263		Crippen Calculated Property
McVol	145.230	ml/mol	McGowan Calculated Property
Pc	2811.36	kPa	Joback Calculated Property
Inp	[1346.00; 1381.90]
Inp	1360.60		NIST
Inp	1374.00		NIST
Inp	1373.00		NIST
Inp	1381.90		NIST
Inp	1373.00		NIST
Inp	Outlier 1346.00		NIST
Inp	1374.00		NIST
Inp	1374.00		NIST
I	2012.00		NIST
Tboil	528.39	K	Relay (1.0) Calculated Property
Tc	721.54	K	Relay (1.0) Calculated Property
Tfus	281.48	K	Relay (1.0) Calculated Property
Vc	0.518	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[323.15; 395.79]	J/mol×K	[540.34; 756.55]
Cp,gas	323.15	J/mol×K	540.34	Joback Calculated Property
Cp,gas	337.47	J/mol×K	576.38	Joback Calculated Property
Cp,gas	350.86	J/mol×K	612.41	Joback Calculated Property
Cp,gas	363.34	J/mol×K	648.45	Joback Calculated Property
Cp,gas	374.97	J/mol×K	684.48	Joback Calculated Property
Cp,gas	385.77	J/mol×K	720.52	Joback Calculated Property
Cp,gas	395.79	J/mol×K	756.55	Joback Calculated Property
η	[0.0001560; 0.0033338]	Pa×s	[277.40; 540.34]
η	0.0033338	Pa×s	277.40	Joback Calculated Property
η	0.0014129	Pa×s	321.22	Joback Calculated Property
η	0.0007358	Pa×s	365.05	Joback Calculated Property
η	0.0004408	Pa×s	408.87	Joback Calculated Property
η	0.0002915	Pa×s	452.69	Joback Calculated Property
η	0.0002074	Pa×s	496.52	Joback Calculated Property
η	0.0001560	Pa×s	540.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Z)-Ethyl cinnamate.

Sources

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

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