Chemical Properties of 1,4-Benzenedicarboxaldehyde, 2-methyl-

InChI

InChI=1S/C9H8O2/c1-7-4-8(5-10)2-3-9(7)6-11/h2-6H,1H3

InChI Key

MNHWRUCVFATHDL-UHFFFAOYSA-N

Formula

C9H8O2

SMILES

Cc1cc(C=O)ccc1C=O

Molecular Weight¹

148.16

Other Names

• 2-Methyl-p-phthalaldehyde
• 2-Methylterephthalaldehyde
• Terephthalaldehyde, methyl-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• 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

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[154.07; 340.60]	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			1.22000e+01
Coefficient B			6.09920e-01
Coefficient C			-3.48920e-04
Coefficient D			6.74000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	154.07	J/mol×K	273.00	Calculated Property
Cp,gas	187.29	J/mol×K	353.78	Calculated Property
Cp,gas	216.89	J/mol×K	434.56	Calculated Property
Cp,gas	243.07	J/mol×K	515.33	Calculated Property
Cp,gas	266.07	J/mol×K	596.11	Calculated Property
Cp,gas	286.08	J/mol×K	676.89	Calculated Property
Cp,gas	303.33	J/mol×K	757.67	Calculated Property
Cp,gas	318.02	J/mol×K	838.44	Calculated Property
Cp,gas	330.38	J/mol×K	919.22	Calculated Property
Cp,gas	340.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020171; 0.0003551]	Pa×s	[326.65; 531.05]	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			-1.07187e+01
Coefficient B			1.47404e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			326.65
Temperature range, max.			531.05
η	0.0020171	Pa×s	326.65	Calculated Property
η	0.0015043	Pa×s	349.36	Calculated Property
η	0.0011627	Pa×s	372.07	Calculated Property
η	0.0009258	Pa×s	394.78	Calculated Property
η	0.0007556	Pa×s	417.49	Calculated Property
η	0.0006298	Pa×s	440.20	Calculated Property
η	0.0005344	Pa×s	462.91	Calculated Property
η	0.0004604	Pa×s	485.63	Calculated Property
η	0.0004020	Pa×s	508.34	Calculated Property
η	0.0003551	Pa×s	531.05	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Benzenedicarboxaldehyde, 2-methyl-.

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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