Chemical Properties of (E)-cinnamyl alcohol (CAS 4407-36-7)

InChI

InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+

InChI Key

OOCCDEMITAIZTP-QPJJXVBHSA-N

Formula

C9H10O

SMILES

OCC=Cc1ccccc1

Molecular Weight¹

134.18

CAS

4407-36-7

Other Names

• (E)-3-phenylprop-2-en-1-ol
• 2-Propen-1-ol, 3-phenyl-, (E)-
• E-Cinnamic alcohol
• trans-cinnamyl alcohol

• 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_subH : Enthalpy of sublimation at a given temperature (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).
• 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	-42.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.40	kJ/mol	Joback Calculated Property
ΔvapH°	77.21	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	-1.20		Relay (1.0) Calculated Property
logPoct/wat	1.692		Crippen Calculated Property
McVol	115.480	ml/mol	McGowan Calculated Property
Inp	[1268.00; 1333.00]
Inp	1302.00		NIST
Inp	1278.00		NIST
Inp	1310.10		NIST
Inp	1303.00		NIST
Inp	1333.00		NIST
Inp	1315.00		NIST
Inp	1297.00		NIST
Inp	1319.00		NIST
Inp	1319.00		NIST
Inp	1310.00		NIST
Inp	1305.00		NIST
Inp	1273.00		NIST
Inp	1268.00		NIST
Inp	1315.00		NIST
Inp	1308.00		NIST
Inp	1310.10		NIST
Inp	1278.00		NIST
I	[2257.00; 2334.00]
I	2263.00		NIST
I	2334.00		NIST
I	2257.00		NIST
I	2263.00		NIST
I	2289.00		NIST
I	2284.00		NIST
I	2334.00		NIST
I	2257.00		NIST
Tboil	530.70	K	NIST
Tfus	305.62	K	Determination and Correlation of Solubility and Thermodynamic Properties of trans-Cinnamyl Alcohol in Pure and Binary Solvents from 253.15 K to 293.15 K

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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[137.65; 353.21]	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			-4.80890e+01
Coefficient B			8.33900e-01
Coefficient C			-6.11200e-04
Coefficient D			1.78600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	137.65	J/mol×K	273.00	Calculated Property
Cp,gas	178.34	J/mol×K	353.78	Calculated Property
Cp,gas	213.52	J/mol×K	434.56	Calculated Property
Cp,gas	243.77	J/mol×K	515.33	Calculated Property
Cp,gas	269.65	J/mol×K	596.11	Calculated Property
Cp,gas	291.72	J/mol×K	676.89	Calculated Property
Cp,gas	310.55	J/mol×K	757.67	Calculated Property
Cp,gas	326.69	J/mol×K	838.44	Calculated Property
Cp,gas	340.73	J/mol×K	919.22	Calculated Property
Cp,gas	353.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0055496; 0.0001223]	Pa×s	[305.62; 512.65]	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			-1.46408e+01
Coefficient B			2.88713e+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.			305.62
Temperature range, max.			512.65
η	0.0055496	Pa×s	305.62	Calculated Property
η	0.0028647	Pa×s	328.62	Calculated Property
η	0.0016124	Pa×s	351.63	Calculated Property
η	0.0009739	Pa×s	374.63	Calculated Property
η	0.0006236	Pa×s	397.63	Calculated Property
η	0.0004192	Pa×s	420.64	Calculated Property
η	0.0002937	Pa×s	443.64	Calculated Property
η	0.0002131	Pa×s	466.64	Calculated Property
η	0.0001593	Pa×s	489.65	Calculated Property
η	0.0001223	Pa×s	512.65	Calculated Property

Similar Compounds

Find more compounds similar to (E)-cinnamyl alcohol.

Mixtures

• (E)-cinnamyl alcohol + Methyl Alcohol
• Ethanol + (E)-cinnamyl alcohol
• 1-Propanol + (E)-cinnamyl alcohol
• 2-Propanol + (E)-cinnamyl alcohol
• (E)-cinnamyl alcohol + 1-Butanol
• (E)-cinnamyl alcohol + 1-Propanol, 2-methyl-
• (E)-cinnamyl alcohol + Acetone
• (E)-cinnamyl alcohol + Acetic acid, methyl ester
• (E)-cinnamyl alcohol + Ethyl Acetate
• n-Hexane + (E)-cinnamyl alcohol
• n-Hexane + 1-Propanol + (E)-cinnamyl alcohol
• n-Hexane + (E)-cinnamyl alcohol + 1-Butanol

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
• Determination and Correlation of Solubility and Thermodynamic Properties of trans-Cinnamyl Alcohol in Pure and Binary Solvents from 253.15 K to 293.15 K
• 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.
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