Chemical Properties of Benzaldehyde, 3-(4-methoxyphenoxy)-

InChI

InChI=1S/C14H12O3/c1-16-12-5-7-13(8-6-12)17-14-4-2-3-11(9-14)10-15/h2-10H,1H3

InChI Key

WLFDEVVCXPTAQA-UHFFFAOYSA-N

Formula

C14H12O3

SMILES

COc1ccc(Oc2cccc(C=O)c2)cc1

Molecular Weight¹

228.25

Other Names

• 3-(4-Methoxyphenoxy)benzaldehyde

• 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_boilr : Boiling point at reduced pressure (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 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[228.78; 526.25]	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			1.33500e+01
Coefficient B			9.05120e-01
Coefficient C			-4.37120e-04
Coefficient D			4.49000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	228.78	J/mol×K	273.00	Calculated Property
Cp,gas	280.84	J/mol×K	353.78	Calculated Property
Cp,gas	327.81	J/mol×K	434.56	Calculated Property
Cp,gas	369.85	J/mol×K	515.33	Calculated Property
Cp,gas	407.08	J/mol×K	596.11	Calculated Property
Cp,gas	439.66	J/mol×K	676.89	Calculated Property
Cp,gas	467.73	J/mol×K	757.67	Calculated Property
Cp,gas	491.42	J/mol×K	838.44	Calculated Property
Cp,gas	510.88	J/mol×K	919.22	Calculated Property
Cp,gas	526.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008979; 0.0001560]	Pa×s	[411.88; 638.71]	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			-1.19436e+01
Coefficient B			2.02981e+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.			411.88
Temperature range, max.			638.71
η	0.0008979	Pa×s	411.88	Calculated Property
η	0.0006758	Pa×s	437.08	Calculated Property
η	0.0005247	Pa×s	462.29	Calculated Property
η	0.0004181	Pa×s	487.49	Calculated Property
η	0.0003407	Pa×s	512.69	Calculated Property
η	0.0002830	Pa×s	537.90	Calculated Property
η	0.0002390	Pa×s	563.10	Calculated Property
η	0.0002048	Pa×s	588.31	Calculated Property
η	0.0001778	Pa×s	613.51	Calculated Property
η	0.0001560	Pa×s	638.71	Calculated Property

Similar Compounds

Find more compounds similar to Benzaldehyde, 3-(4-methoxyphenoxy)-.

Sources

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

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