Chemical Properties of Levulinic acid, ethyl ester, diethyl acetal (CAS 92557-39-6)

InChI

InChI=1S/C11H22O4/c1-5-13-10(12)8-9-11(4,14-6-2)15-7-3/h5-9H2,1-4H3

InChI Key

JWMRPSYVFUZQCJ-UHFFFAOYSA-N

Formula

C11H22O4

SMILES

CCOC(=O)CCC(C)(OCC)OCC

Molecular Weight¹

218.29

CAS

92557-39-6

• ω : Acentric Factor.
• 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).
• 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_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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[284.52; 633.41]	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			4.48250e+01
Coefficient B			9.93480e-01
Coefficient C			-4.29800e-04
Coefficient D			2.49000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	284.52	J/mol×K	273.00	Calculated Property
Cp,gas	343.61	J/mol×K	353.78	Calculated Property
Cp,gas	397.43	J/mol×K	434.56	Calculated Property
Cp,gas	446.06	J/mol×K	515.33	Calculated Property
Cp,gas	489.60	J/mol×K	596.11	Calculated Property
Cp,gas	528.10	J/mol×K	676.89	Calculated Property
Cp,gas	561.65	J/mol×K	757.67	Calculated Property
Cp,gas	590.33	J/mol×K	838.44	Calculated Property
Cp,gas	614.23	J/mol×K	919.22	Calculated Property
Cp,gas	633.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030645; 0.0001574]	Pa×s	[302.94; 509.17]	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			-1.31182e+01
Coefficient B			2.22064e+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.			302.94
Temperature range, max.			509.17
η	0.0030645	Pa×s	302.94	Calculated Property
η	0.0018302	Pa×s	325.85	Calculated Property
η	0.0011696	Pa×s	348.77	Calculated Property
η	0.0007899	Pa×s	371.68	Calculated Property
η	0.0005583	Pa×s	394.60	Calculated Property
η	0.0004100	Pa×s	417.51	Calculated Property
η	0.0003109	Pa×s	440.43	Calculated Property
η	0.0002423	Pa×s	463.34	Calculated Property
η	0.0001933	Pa×s	486.25	Calculated Property
η	0.0001574	Pa×s	509.17	Calculated Property

Similar Compounds

Find more compounds similar to Levulinic acid, ethyl ester, diethyl acetal.

Sources

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

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