Chemical Properties of Acrolein, 3-ethoxy-, diethyl acetal (CAS 5444-80-4)

InChI

InChI=1S/C9H18O3/c1-4-10-8-7-9(11-5-2)12-6-3/h7-9H,4-6H2,1-3H3/b8-7+

InChI Key

ATAQLIDYIFWHFW-BQYQJAHWSA-N

Formula

C9H18O3

SMILES

CCOC=CC(OCC)OCC

Molecular Weight¹

174.24

CAS

5444-80-4

Other Names

• Propene, 1,3,3-triethoxy-
• 1-Propene, 1,3,3-triethoxy-
• 1,3,3-Triethoxy-1-propene
• 1,3,3-Triethoxypropene
• «beta»-Ethoxyacroleindiethylacetal

• 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.
• 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°	-212.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-513.81	kJ/mol	Joback Calculated Property
ΔfusH°	19.31	kJ/mol	Joback Calculated Property
ΔvapH°	42.43	kJ/mol	Joback Calculated Property
log10WS	-1.81		Crippen Calculated Property
logPoct/wat	1.936		Crippen Calculated Property
McVol	150.980	ml/mol	McGowan Calculated Property
Pc	2327.03	kPa	Joback Calculated Property
Inp	[1102.00; 1102.00]
Inp	1102.00		NIST
Inp	1102.00		NIST
Tboil	476.30	K	Joback Calculated Property
Tc	650.52	K	Joback Calculated Property
Tfus	237.80	K	Joback Calculated Property
Vc	0.568	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[334.25; 408.60]	J/mol×K	[476.30; 650.52]
Cp,gas	334.25	J/mol×K	476.30	Joback Calculated Property
Cp,gas	347.72	J/mol×K	505.34	Joback Calculated Property
Cp,gas	360.76	J/mol×K	534.37	Joback Calculated Property
Cp,gas	373.37	J/mol×K	563.41	Joback Calculated Property
Cp,gas	385.55	J/mol×K	592.45	Joback Calculated Property
Cp,gas	397.29	J/mol×K	621.48	Joback Calculated Property
Cp,gas	408.60	J/mol×K	650.52	Joback Calculated Property
η	[0.0001208; 0.0030823]	Pa×s	[237.80; 476.30]
η	0.0030823	Pa×s	237.80	Joback Calculated Property
η	0.0012205	Pa×s	277.55	Joback Calculated Property
η	0.0006096	Pa×s	317.30	Joback Calculated Property
η	0.0003553	Pa×s	357.05	Joback Calculated Property
η	0.0002308	Pa×s	396.80	Joback Calculated Property
η	0.0001621	Pa×s	436.55	Joback Calculated Property
η	0.0001208	Pa×s	476.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acrolein, 3-ethoxy-, diethyl acetal.

Sources

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

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