Chemical Properties of Propane, 1,1-diethoxy- (CAS 4744-08-5)

InChI

InChI=1S/C7H16O2/c1-4-7(8-5-2)9-6-3/h7H,4-6H2,1-3H3

InChI Key

MBNMGGKBGCIEGF-UHFFFAOYSA-N

Formula

C7H16O2

SMILES

CCOC(CC)OCC

Molecular Weight¹

132.20

CAS

4744-08-5

Other Names

• Propionaldehyde, diethyl acetal
• Propanaldiethylacetal
• 1,1-Diethoxypropane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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 : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-204.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-457.53	kJ/mol	Joback Calculated Property
ΔfusH°	12.74	kJ/mol	Joback Calculated Property
ΔvapH°	35.61	kJ/mol	Joback Calculated Property
log10WS	-1.53		Crippen Calculated Property
logPoct/wat	1.796		Crippen Calculated Property
McVol	121.230	ml/mol	McGowan Calculated Property
Pc	2724.01	kPa	Joback Calculated Property
Inp	[812.00; 817.00]
Inp	812.00		NIST
Inp	813.00		NIST
Inp	817.00		NIST
Inp	814.00		NIST
Inp	813.00		NIST
I	[950.00; 950.00]
I	950.00		NIST
I	950.00		NIST
I	950.00		NIST
Tboil	[396.00; 397.00]	K
Tboil	396.00	K	NIST
Tboil	397.00 ± 4.00	K	NIST
Tc	572.52	K	Joback Calculated Property
Tfus	198.11	K	Joback Calculated Property
Vc	0.458	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[242.30; 307.36]	J/mol×K	[403.96; 572.52]
Cp,gas	242.30	J/mol×K	403.96	Joback Calculated Property
Cp,gas	253.90	J/mol×K	432.05	Joback Calculated Property
Cp,gas	265.20	J/mol×K	460.15	Joback Calculated Property
Cp,gas	276.21	J/mol×K	488.24	Joback Calculated Property
Cp,gas	286.90	J/mol×K	516.33	Joback Calculated Property
Cp,gas	297.29	J/mol×K	544.43	Joback Calculated Property
Cp,gas	307.36	J/mol×K	572.52	Joback Calculated Property
η	[0.0001919; 0.0047999]	Pa×s	[198.11; 403.96]
η	0.0047999	Pa×s	198.11	Joback Calculated Property
η	0.0018890	Pa×s	232.42	Joback Calculated Property
η	0.0009450	Pa×s	266.73	Joback Calculated Property
η	0.0005536	Pa×s	301.04	Joback Calculated Property
η	0.0003618	Pa×s	335.34	Joback Calculated Property
η	0.0002559	Pa×s	369.65	Joback Calculated Property
η	0.0001919	Pa×s	403.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propane, 1,1-diethoxy-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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