Chemical Properties of 2H-Pyran-2-carboxaldehyde, 3,4-dihydro-

InChI

InChI=1S/C6H8O2/c7-5-6-3-1-2-4-8-6/h2,4-6H,1,3H2

InChI Key

NPWYTMFWRRIFLK-UHFFFAOYSA-N

Formula

C6H8O2

SMILES

O=CC1CCC=CO1

Molecular Weight¹

112.13

Other Names

• Acrolein dimer
• 2-Propenal dimer
• 5-Hexenal, 2,6-epoxy-
• Pyran aldehyde
• 2-Formyl-3,4-dihydro-2H-pyran
• 3,4-Dihydro-2H-pyran-2-carboxaldehyde
• 2,3-Dihydro-1,4-pyran-2-karboxaldehyd
• 3,4-Dihydro-2-carboxaldehyde-2H-pyran
• 3,4-Dihydro-2-formyl-2H-pyran
• NSC 95413
• Acroleine dimer
• 3,4-dihydro-2H-pyran-2-carbaldehyde

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[110.44; 292.95]	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			-3.16700e+01
Coefficient B			6.11400e-01
Coefficient C			-3.49980e-04
Coefficient D			6.32000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	110.44	J/mol×K	273.00	Calculated Property
Cp,gas	143.63	J/mol×K	353.78	Calculated Property
Cp,gas	173.11	J/mol×K	434.56	Calculated Property
Cp,gas	199.11	J/mol×K	515.33	Calculated Property
Cp,gas	221.81	J/mol×K	596.11	Calculated Property
Cp,gas	241.43	J/mol×K	676.89	Calculated Property
Cp,gas	258.15	J/mol×K	757.67	Calculated Property
Cp,gas	272.17	J/mol×K	838.44	Calculated Property
Cp,gas	283.71	J/mol×K	919.22	Calculated Property
Cp,gas	292.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0052794; 0.0003457]	Pa×s	[234.09; 452.09]	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			-1.08974e+01
Coefficient B			1.32341e+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.			234.09
Temperature range, max.			452.09
η	0.0052794	Pa×s	234.09	Calculated Property
η	0.0031071	Pa×s	258.31	Calculated Property
η	0.0020026	Pa×s	282.53	Calculated Property
η	0.0013835	Pa×s	306.76	Calculated Property
η	0.0010089	Pa×s	330.98	Calculated Property
η	0.0007681	Pa×s	355.20	Calculated Property
η	0.0006055	Pa×s	379.42	Calculated Property
η	0.0004912	Pa×s	403.64	Calculated Property
η	0.0004080	Pa×s	427.87	Calculated Property
η	0.0003457	Pa×s	452.09	Calculated Property

Similar Compounds

Find more compounds similar to 2H-Pyran-2-carboxaldehyde, 3,4-dihydro-.

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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