Chemical Properties of PROPIOLALDEHYDE DIETHYL ACETAL

InChI

InChI=1S/C7H12O2/c1-4-7(8-5-2)9-6-3/h1,7H,5-6H2,2-3H3

InChI Key

RGUXEWWHSQGVRZ-UHFFFAOYSA-N

Formula

C7H12O2

SMILES

C#CC(OCC)OCC

Molecular Weight¹

128.17

Other Names

• 1-Propyne, 3,3-diethoxy-
• 3,3-diethoxypropyne
• Propargylaldehyde diethyl acetal

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_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 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	[173.29; 360.32]	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			5.96220e+01
Coefficient B			4.54440e-01
Coefficient C			-1.34130e-04
Coefficient D			-1.96100e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.29	J/mol×K	273.00	Calculated Property
Cp,gas	202.74	J/mol×K	353.78	Calculated Property
Cp,gas	230.16	J/mol×K	434.56	Calculated Property
Cp,gas	255.51	J/mol×K	515.33	Calculated Property
Cp,gas	278.70	J/mol×K	596.11	Calculated Property
Cp,gas	299.69	J/mol×K	676.89	Calculated Property
Cp,gas	318.41	J/mol×K	757.67	Calculated Property
Cp,gas	334.79	J/mol×K	838.44	Calculated Property
Cp,gas	348.79	J/mol×K	919.22	Calculated Property
Cp,gas	360.32	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to PROPIOLALDEHYDE DIETHYL ACETAL.

Sources

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

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