Chemical Properties of Ethyl diacetoacetate (CAS 603-69-0)

InChI

InChI=1S/C8H12O4/c1-4-12-8(11)7(5(2)9)6(3)10/h7H,4H2,1-3H3

InChI Key

YMCDYRGMTRCAPZ-UHFFFAOYSA-N

Formula

C8H12O4

SMILES

CCOC(=O)C(C(C)=O)C(C)=O

Molecular Weight¹

172.18

CAS

603-69-0

Other Names

• Acetoacetic acid, 2-acetyl-, ethyl ester
• Butanoic acid, 2-acetyl-3-oxo-, ethyl ester
• Ethyl 2-acetylacetoacetate
• Ethyl diacetylacetate

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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_boilr : Boiling point at reduced pressure (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

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[377.00; 377.20]	K	[2.10; 2.10]
Tboilr	377.20	K	2.10	NIST
Tboilr	377.00	K	2.10	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[193.06; 418.74]	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			3.40610e+01
Coefficient B			6.58960e-01
Coefficient C			-2.82600e-04
Coefficient D			8.32000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	193.06	J/mol×K	273.00	Calculated Property
Cp,gas	232.18	J/mol×K	353.78	Calculated Property
Cp,gas	267.73	J/mol×K	434.56	Calculated Property
Cp,gas	299.73	J/mol×K	515.33	Calculated Property
Cp,gas	328.22	J/mol×K	596.11	Calculated Property
Cp,gas	353.20	J/mol×K	676.89	Calculated Property
Cp,gas	374.72	J/mol×K	757.67	Calculated Property
Cp,gas	392.80	J/mol×K	838.44	Calculated Property
Cp,gas	407.47	J/mol×K	919.22	Calculated Property
Cp,gas	418.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0043857; 0.0003117]	Pa×s	[307.11; 519.96]	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			-1.18885e+01
Coefficient B			1.98364e+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.			307.11
Temperature range, max.			519.96
η	0.0043857	Pa×s	307.11	Calculated Property
η	0.0027635	Pa×s	330.76	Calculated Property
η	0.0018521	Pa×s	354.41	Calculated Property
η	0.0013050	Pa×s	378.06	Calculated Property
η	0.0009582	Pa×s	401.71	Calculated Property
η	0.0007281	Pa×s	425.36	Calculated Property
η	0.0005695	Pa×s	449.01	Calculated Property
η	0.0004566	Pa×s	472.66	Calculated Property
η	0.0003738	Pa×s	496.31	Calculated Property
η	0.0003117	Pa×s	519.96	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl diacetoacetate.

Sources

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

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