Chemical Properties of 2-Pentanone, 5,5-diethoxy- (CAS 14499-41-3)

InChI

InChI=1S/C9H18O3/c1-4-11-9(12-5-2)7-6-8(3)10/h9H,4-7H2,1-3H3

InChI Key

BRQZMIVIOUPIFN-UHFFFAOYSA-N

Formula

C9H18O3

SMILES

CCOC(CCC(C)=O)OCC

Molecular Weight¹

174.24

CAS

14499-41-3

Other Names

• Levulinaldehyde, 1-(diethyl acetal)
• 1,1-Diethoxypentan-4-one
• 5,5-Diethoxypentan-2-one

• 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°	-316.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-611.39	kJ/mol	Joback Calculated Property
ΔfusH°	19.52	kJ/mol	Joback Calculated Property
ΔvapH°	46.81	kJ/mol	Joback Calculated Property
log10WS	-1.65		Crippen Calculated Property
logPoct/wat	1.755		Crippen Calculated Property
McVol	150.980	ml/mol	McGowan Calculated Property
Pc	2391.19	kPa	Joback Calculated Property
Inp	[1134.00; 1162.00]
Inp	1134.00		NIST
Inp	1158.00		NIST
Inp	1162.00		NIST
Inp	1158.00		NIST
Inp	1134.00		NIST
I	1563.00		NIST
Tboil	503.59	K	Joback Calculated Property
Tc	680.25	K	Joback Calculated Property
Tfus	270.58	K	Joback Calculated Property
Vc	0.576	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[348.25; 421.65]	J/mol×K	[503.59; 680.25]
Cp,gas	348.25	J/mol×K	503.59	Joback Calculated Property
Cp,gas	361.64	J/mol×K	533.03	Joback Calculated Property
Cp,gas	374.58	J/mol×K	562.48	Joback Calculated Property
Cp,gas	387.05	J/mol×K	591.92	Joback Calculated Property
Cp,gas	399.06	J/mol×K	621.36	Joback Calculated Property
Cp,gas	410.59	J/mol×K	650.81	Joback Calculated Property
Cp,gas	421.65	J/mol×K	680.25	Joback Calculated Property
η	[0.0001875; 0.0033518]	Pa×s	[270.58; 503.59]
η	0.0033518	Pa×s	270.58	Joback Calculated Property
η	0.0015333	Pa×s	309.41	Joback Calculated Property
η	0.0008351	Pa×s	348.25	Joback Calculated Property
η	0.0005138	Pa×s	387.09	Joback Calculated Property
η	0.0003454	Pa×s	425.92	Joback Calculated Property
η	0.0002481	Pa×s	464.75	Joback Calculated Property
η	0.0001875	Pa×s	503.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentanone, 5,5-diethoxy-.

Sources

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

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