Chemical Properties of Cinnamaldehyde, (E)- (CAS 14371-10-9)

InChI

InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+

InChI Key

KJPRLNWUNMBNBZ-QPJJXVBHSA-N

Formula

C9H8O

SMILES

O=CC=Cc1ccccc1

Molecular Weight¹

132.16

CAS

14371-10-9

Other Names

• (E)-Cinnamaldehyde
• trans-Cinnamaldehyde
• trans-Cinnamic aldehyde
• trans-Cinnamylaldehyde
• (E)-3-Phenylpropenal
• 2-Propenal, 3-phenyl-, (E)-
• (2E)-3-Phenyl-2-propenal
• (E)-Cinnamic aldehyde
• 2-Propenal, 3-phenyl-, (2E)-
• Cinnamaldehyde

• ω : Acentric Factor.
• 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).
• 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_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3747		Relay (1.0) Calculated Property
ΔfG°	118.01	kJ/mol	Joback Calculated Property
ΔfH°gas	28.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.60	kJ/mol	Joback Calculated Property
ΔvapH°	59.88	kJ/mol	Relay (1.0) Calculated Property
IE	8.85	eV	Relay (1.0) Calculated Property
log10WS	-1.59		Relay (1.0) Calculated Property
logPoct/wat	1.899		Crippen Calculated Property
McVol	111.180	ml/mol	McGowan Calculated Property
Pc	3786.98	kPa	Joback Calculated Property
Inp	[1222.00; 1287.00]
Inp	1235.10		NIST
Inp	1243.00		NIST
Inp	1257.00		NIST
Inp	1266.00		NIST
Inp	1266.00		NIST
Inp	1227.00		NIST
Inp	1277.00		NIST
Inp	1266.00		NIST
Inp	1275.00		NIST
Inp	1270.00		NIST
Inp	1271.00		NIST
Inp	1253.00		NIST
Inp	1228.00		NIST
Inp	1224.00		NIST
Inp	1222.00		NIST
Inp	1268.00		NIST
Inp	1287.00		NIST
Inp	1287.00		NIST
Inp	1256.00		NIST
Inp	1268.00		NIST
Inp	1268.00		NIST
Inp	1256.00		NIST
Inp	1270.00		NIST
Inp	1235.00		NIST
Inp	1240.00		NIST
Inp	1268.00		NIST
Inp	1266.00		NIST
Inp	1239.00		NIST
Inp	1240.00		NIST
Inp	1225.00		NIST
Inp	1274.00		NIST
Inp	1273.00		NIST
Inp	1270.00		NIST
Inp	1272.00		NIST
Inp	1266.00		NIST
Inp	1283.00		NIST
Inp	1266.00		NIST
Inp	1224.00		NIST
Inp	1270.00		NIST
Ip	[2015.00; 2084.00]
Ip	2043.00		NIST
Ip	2025.00		NIST
Ip	2044.00		NIST
Ip	2032.00		NIST
Ip	2015.00		NIST
Ip	Outlier 2084.00		NIST
Ip	2040.00		NIST
Ip	2025.00		NIST
Tboil	521.20	K	NIST
Tc	732.30	K	Relay (1.0) Calculated Property
Tfus	278.66	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume 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	[130.06; 325.32]	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			-4.19800e+01
Coefficient B			7.74400e-01
Coefficient C			-5.73800e-04
Coefficient D			1.66700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	130.06	J/mol×K	273.00	Calculated Property
Cp,gas	167.55	J/mol×K	353.78	Calculated Property
Cp,gas	199.86	J/mol×K	434.56	Calculated Property
Cp,gas	227.52	J/mol×K	515.33	Calculated Property
Cp,gas	251.06	J/mol×K	596.11	Calculated Property
Cp,gas	271.00	J/mol×K	676.89	Calculated Property
Cp,gas	287.87	J/mol×K	757.67	Calculated Property
Cp,gas	302.19	J/mol×K	838.44	Calculated Property
Cp,gas	314.50	J/mol×K	919.22	Calculated Property
Cp,gas	325.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031225; 0.0002317]	Pa×s	[254.53; 495.88]	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			-1.11130e+01
Coefficient B			1.36017e+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.			254.53
Temperature range, max.			495.88
η	0.0031225	Pa×s	254.53	Calculated Property
η	0.0018763	Pa×s	281.35	Calculated Property
η	0.0012319	Pa×s	308.16	Calculated Property
η	0.0008652	Pa×s	334.98	Calculated Property
η	0.0006404	Pa×s	361.80	Calculated Property
η	0.0004940	Pa×s	388.61	Calculated Property
η	0.0003941	Pa×s	415.43	Calculated Property
η	0.0003232	Pa×s	442.24	Calculated Property
η	0.0002711	Pa×s	469.06	Calculated Property
η	0.0002317	Pa×s	495.88	Calculated Property

Similar Compounds

Find more compounds similar to Cinnamaldehyde, (E)-.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.