Chemical Properties of Cinnamic aldehyde, dimethyl acetal (CAS 4364-06-1)

InChI

InChI=1S/C11H14O2/c1-12-11(13-2)9-8-10-6-4-3-5-7-10/h3-9,11H,1-2H3/b9-8+

InChI Key

MBAOABFNWSOOLU-CMDGGOBGSA-N

Formula

C11H14O2

SMILES

COC(C=Cc1ccccc1)OC

Molecular Weight¹

178.23

CAS

4364-06-1

Other Names

• (3,3-dimethoxypropen-1-yl)benzene

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[198.07; 475.26]	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			-5.88000e+00
Coefficient B			8.69440e-01
Coefficient C			-4.70800e-04
Coefficient D			8.25000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	198.07	J/mol×K	273.00	Calculated Property
Cp,gas	246.44	J/mol×K	353.78	Calculated Property
Cp,gas	289.80	J/mol×K	434.56	Calculated Property
Cp,gas	328.43	J/mol×K	515.33	Calculated Property
Cp,gas	362.58	J/mol×K	596.11	Calculated Property
Cp,gas	392.51	J/mol×K	676.89	Calculated Property
Cp,gas	418.48	J/mol×K	757.67	Calculated Property
Cp,gas	440.76	J/mol×K	838.44	Calculated Property
Cp,gas	459.60	J/mol×K	919.22	Calculated Property
Cp,gas	475.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026523; 0.0001287]	Pa×s	[264.53; 517.39]	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			-1.21239e+01
Coefficient B			1.63786e+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.			264.53
Temperature range, max.			517.39
η	0.0026523	Pa×s	264.53	Calculated Property
η	0.0014637	Pa×s	292.63	Calculated Property
η	0.0008964	Pa×s	320.72	Calculated Property
η	0.0005941	Pa×s	348.82	Calculated Property
η	0.0004187	Pa×s	376.91	Calculated Property
η	0.0003097	Pa×s	405.01	Calculated Property
η	0.0002382	Pa×s	433.11	Calculated Property
η	0.0001892	Pa×s	461.20	Calculated Property
η	0.0001543	Pa×s	489.30	Calculated Property
η	0.0001287	Pa×s	517.39	Calculated Property

Similar Compounds

Find more compounds similar to Cinnamic aldehyde, dimethyl acetal.

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

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