Chemical Properties of Benzyl cinnamate (CAS 103-41-3)

InChI

InChI=1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11+

InChI Key

NGHOLYJTSCBCGC-VAWYXSNFSA-N

Formula

C16H14O2

SMILES

O=C(C=Cc1ccccc1)OCc1ccccc1

Molecular Weight¹

238.28

CAS

103-41-3

Other Names

• 2-Propenoic acid, 3-phenyl-, phenylmethyl ester
• Benzyl «gamma»-phenylacrylate
• Benzyl alcohol cinnamic ester
• Benzyl alcohol, cinnamate
• Cinnamein
• Cinnamic acid, benzyl ester
• Benzylester kyseliny skoricove
• 3-Phenyl-2-propenoic acid phenylmethyl ester
• Benzyl 3-phenylpropenoate
• Benzyl 3-phenyl-2-propenoate
• NSC 11780

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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
ΔfG°	154.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-28.09	kJ/mol	Joback Calculated Property
ΔfusH°	28.27	kJ/mol	Joback Calculated Property
ΔvapH°	64.88	kJ/mol	Joback Calculated Property
log10WS	-4.10		Crippen Calculated Property
logPoct/wat	3.443		Crippen Calculated Property
McVol	191.920	ml/mol	McGowan Calculated Property
Pc	2515.07	kPa	Joback Calculated Property
Inp	[2096.00; 2146.00]
Inp	2135.00		NIST
Inp	2134.00		NIST
Inp	2135.00		NIST
Inp	2138.00		NIST
Inp	2141.00		NIST
Inp	2146.00		NIST
Inp	Outlier 2096.00		NIST
Inp	2135.00		NIST
Inp	2146.00		NIST
I	[2769.00; 2769.00]
I	2769.00		NIST
I	2769.00		NIST
Tboil	699.29	K	Joback Calculated Property
Tc	941.67	K	Joback Calculated Property
Tfus	390.00	K	Joback Calculated Property
Vc	0.720	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[495.69; 571.63]	J/mol×K	[699.29; 941.67]
Cp,gas	495.69	J/mol×K	699.29	Joback Calculated Property
Cp,gas	511.23	J/mol×K	739.69	Joback Calculated Property
Cp,gas	525.51	J/mol×K	780.08	Joback Calculated Property
Cp,gas	538.61	J/mol×K	820.48	Joback Calculated Property
Cp,gas	550.60	J/mol×K	860.88	Joback Calculated Property
Cp,gas	561.58	J/mol×K	901.28	Joback Calculated Property
Cp,gas	571.63	J/mol×K	941.67	Joback Calculated Property
η	[0.0001055; 0.0013204]	Pa×s	[390.00; 699.29]
η	0.0013204	Pa×s	390.00	Joback Calculated Property
η	0.0006777	Pa×s	441.55	Joback Calculated Property
η	0.0003999	Pa×s	493.10	Joback Calculated Property
η	0.0002607	Pa×s	544.64	Joback Calculated Property
η	0.0001830	Pa×s	596.19	Joback Calculated Property
η	0.0001359	Pa×s	647.74	Joback Calculated Property
η	0.0001055	Pa×s	699.29	Joback Calculated Property
ΔvapH	89.40	kJ/mol	534.50	NIST

Similar Compounds

Find more compounds similar to Benzyl cinnamate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.