Chemical Properties of MALONALDEHYDE BIS(DIETHYL ACETAL)

InChI

InChI=1S/C11H24O4/c1-5-12-10(13-6-2)9-11(14-7-3)15-8-4/h10-11H,5-9H2,1-4H3

InChI Key

KVJHGPAAOUGYJX-UHFFFAOYSA-N

Formula

C11H24O4

SMILES

CCOC(CC(OCC)OCC)OCC

Molecular Weight¹

220.31

Other Names

• Malonaldehyde, bis(diethyl acetal)
• Malonaldehyde tetraethyl acetal
• Malonaldehyde tetraethyl diacetal
• Malondialdehyde tetraethyl acetal
• 1,1,3,3-Tetraethoxypropane
• Tetraethyl malondialdehyde acetal
• Malondialdehyde bis(diethyl acetal)
• Malonaldehyde diethyl acetal
• Tetraethoxypropane
• USAF KF-26
• NSC 17068

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

Property	Value	Unit	Source
ΔfH°gas	-853.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.95	kJ/mol	Joback Calculated Property
ΔvapH°	63.18	kJ/mol	Relay (1.0) Calculated Property
IE	9.11	eV	Relay (1.0) Calculated Property
log10WS	-1.30		Relay (1.0) Calculated Property
logPoct/wat	2.175		Crippen Calculated Property
McVol	189.330	ml/mol	McGowan Calculated Property
Pc	1848.33	kPa	Joback Calculated Property
Inp	[1304.00; 1304.00]
Inp	1304.00		NIST
Inp	1304.00		NIST
Ip	[1347.00; 1347.00]
Ip	1347.00		NIST
Ip	1347.00		NIST
Tboil	493.20	K	NIST
Tc	638.17	K	Relay (1.0) Calculated Property
Tfus	187.42	K	Relay (1.0) Calculated Property

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[299.82; 661.91]	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			9.15250e+01
Coefficient B			8.07880e-01
Coefficient C			-1.37000e-04
Coefficient D			-1.00500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	299.82	J/mol×K	273.00	Calculated Property
Cp,gas	355.74	J/mol×K	353.78	Calculated Property
Cp,gas	408.48	J/mol×K	434.56	Calculated Property
Cp,gas	457.72	J/mol×K	515.33	Calculated Property
Cp,gas	503.14	J/mol×K	596.11	Calculated Property
Cp,gas	544.43	J/mol×K	676.89	Calculated Property
Cp,gas	581.27	J/mol×K	757.67	Calculated Property
Cp,gas	613.34	J/mol×K	838.44	Calculated Property
Cp,gas	640.33	J/mol×K	919.22	Calculated Property
Cp,gas	661.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029033; 0.0001244]	Pa×s	[272.65; 495.38]	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			-1.28480e+01
Coefficient B			1.91020e+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.			272.65
Temperature range, max.			495.38
η	0.0029033	Pa×s	272.65	Calculated Property
η	0.0016207	Pa×s	297.40	Calculated Property
η	0.0009895	Pa×s	322.14	Calculated Property
η	0.0006482	Pa×s	346.89	Calculated Property
η	0.0004492	Pa×s	371.64	Calculated Property
η	0.0003259	Pa×s	396.39	Calculated Property
η	0.0002455	Pa×s	421.13	Calculated Property
η	0.0001909	Pa×s	445.88	Calculated Property
η	0.0001524	Pa×s	470.63	Calculated Property
η	0.0001244	Pa×s	495.38	Calculated Property

Similar Compounds

Find more compounds similar to MALONALDEHYDE BIS(DIETHYL ACETAL).

Sources

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

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