Chemical Properties of n-Butyl cinnamate (CAS 538-65-8)

InChI

InChI=1S/C13H16O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3/b10-9+

InChI Key

OHHIVLJVBNCSHV-MDZDMXLPSA-N

Formula

C13H16O2

SMILES

CCCCOC(=O)C=Cc1ccccc1

Molecular Weight¹

204.26

CAS

538-65-8

Other Names

• 2-Propenoic acid, 3-phenyl-, butyl ester
• Butyl cinnamate
• Cinnamic acid butyl ester
• Cinnamic acid n-butyl ester
• Eliminoxy
• n-Butyl phenylacrylate
• Cinnamate de n-butyle
• Butyl 3-phenyl-2-propenoate
• NSC 71966

• 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).
• 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

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[226.34; 549.01]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.16070e+01
Coefficient B			1.12512e+00
Coefficient C			-7.03800e-04
Coefficient D			1.59300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	226.34	J/mol×K	273.00	Calculated Property
Cp,gas	285.40	J/mol×K	353.78	Calculated Property
Cp,gas	337.49	J/mol×K	434.56	Calculated Property
Cp,gas	383.10	J/mol×K	515.33	Calculated Property
Cp,gas	422.74	J/mol×K	596.11	Calculated Property
Cp,gas	456.91	J/mol×K	676.89	Calculated Property
Cp,gas	486.12	J/mol×K	757.67	Calculated Property
Cp,gas	510.87	J/mol×K	838.44	Calculated Property
Cp,gas	531.67	J/mol×K	919.22	Calculated Property
Cp,gas	549.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030308; 0.0001549]	Pa×s	[299.94; 556.68]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.22466e+01
Coefficient B			1.93390e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			299.94
Temperature range, max.			556.68
η	0.0030308	Pa×s	299.94	Calculated Property
η	0.0017313	Pa×s	328.47	Calculated Property
η	0.0010816	Pa×s	356.99	Calculated Property
η	0.0007244	Pa×s	385.52	Calculated Property
η	0.0005127	Pa×s	414.04	Calculated Property
η	0.0003794	Pa×s	442.57	Calculated Property
η	0.0002912	Pa×s	471.10	Calculated Property
η	0.0002304	Pa×s	499.62	Calculated Property
η	0.0001869	Pa×s	528.15	Calculated Property
η	0.0001549	Pa×s	556.68	Calculated Property

Similar Compounds

Find more compounds similar to n-Butyl cinnamate.

Sources

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

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