Chemical Properties of 2,4-dimethoxybenzaldehyde (CAS 613-45-6)

InChI

InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-6H,1-2H3

InChI Key

LWRSYTXEQUUTKW-UHFFFAOYSA-N

Formula

C9H10O3

SMILES

COc1ccc(C=O)c(OC)c1

Molecular Weight¹

166.17

CAS

613-45-6

Other Names

• Benzaldehyde, 2,4-dimethoxy-

• 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).
• I_np : Non-polar retention indices.
• 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 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[179.97; 386.82]	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			5.18000e+01
Coefficient B			5.09040e-01
Coefficient C			-1.33920e-04
Coefficient D			-4.01000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	179.97	J/mol×K	273.00	Calculated Property
Cp,gas	213.35	J/mol×K	353.78	Calculated Property
Cp,gas	244.43	J/mol×K	434.56	Calculated Property
Cp,gas	273.07	J/mol×K	515.33	Calculated Property
Cp,gas	299.16	J/mol×K	596.11	Calculated Property
Cp,gas	322.57	J/mol×K	676.89	Calculated Property
Cp,gas	343.16	J/mol×K	757.67	Calculated Property
Cp,gas	360.82	J/mol×K	838.44	Calculated Property
Cp,gas	375.42	J/mol×K	919.22	Calculated Property
Cp,gas	386.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011750; 0.0002111]	Pa×s	[329.11; 522.67]	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			-1.13820e+01
Coefficient B			1.52559e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			329.11
Temperature range, max.			522.67
η	0.0011750	Pa×s	329.11	Calculated Property
η	0.0008842	Pa×s	350.62	Calculated Property
η	0.0006876	Pa×s	372.12	Calculated Property
η	0.0005496	Pa×s	393.63	Calculated Property
η	0.0004496	Pa×s	415.14	Calculated Property
η	0.0003752	Pa×s	436.65	Calculated Property
η	0.0003184	Pa×s	458.15	Calculated Property
η	0.0002743	Pa×s	479.66	Calculated Property
η	0.0002393	Pa×s	501.17	Calculated Property
η	0.0002111	Pa×s	522.67	Calculated Property

Similar Compounds

Find more compounds similar to 2,4-dimethoxybenzaldehyde.

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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