Chemical Properties of BENZYL CINNAMATE

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=C/c1ccccc1)OCc1ccccc1

Molecular Weight¹

238.29

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_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).
• 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).
• 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	-79.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.27	kJ/mol	Joback Calculated Property
ΔvapH°	88.39	kJ/mol	Relay (1.0) Calculated Property
IE	8.55	eV	Relay (1.0) Calculated Property
log10WS	-4.56		Relay (1.0) Calculated Property
logPoct/wat	3.443		Crippen Calculated Property
McVol	191.920	ml/mol	McGowan Calculated Property
Inp	[2096.00; 2146.00]
Inp	2135.00		NIST
Inp	2146.00		NIST
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
I	[2769.00; 2769.00]
I	2769.00		NIST
I	2769.00		NIST
Tboil	617.78	K	Relay (1.0) Calculated Property
Tfus	333.30	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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	[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

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.