Chemical Properties of SEC-BUTYL ACETOACETATE

InChI

InChI=1S/C8H14O3/c1-4-7(3)11-8(10)5-6(2)9/h7H,4-5H2,1-3H3

InChI Key

QSTNBMLCULGCQE-UHFFFAOYSA-N

Formula

C8H14O3

SMILES

CCC(C)OC(=O)CC(C)=O

Molecular Weight¹

158.20

Other Names

• Acetoacetic acid, sec-butyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[192.14; 429.72]	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			2.67020e+01
Coefficient B			6.86960e-01
Coefficient C			-3.01300e-04
Coefficient D			1.73600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.14	J/mol×K	273.00	Calculated Property
Cp,gas	232.79	J/mol×K	353.78	Calculated Property
Cp,gas	269.75	J/mol×K	434.56	Calculated Property
Cp,gas	303.08	J/mol×K	515.33	Calculated Property
Cp,gas	332.82	J/mol×K	596.11	Calculated Property
Cp,gas	359.03	J/mol×K	676.89	Calculated Property
Cp,gas	381.78	J/mol×K	757.67	Calculated Property
Cp,gas	401.10	J/mol×K	838.44	Calculated Property
Cp,gas	417.07	J/mol×K	919.22	Calculated Property
Cp,gas	429.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0063052; 0.0002824]	Pa×s	[257.18; 476.02]	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			-1.18222e+01
Coefficient B			1.73745e+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.			257.18
Temperature range, max.			476.02
η	0.0063052	Pa×s	257.18	Calculated Property
η	0.0035177	Pa×s	281.50	Calculated Property
η	0.0021534	Pa×s	305.81	Calculated Property
η	0.0014170	Pa×s	330.13	Calculated Property
η	0.0009876	Pa×s	354.44	Calculated Property
η	0.0007210	Pa×s	378.76	Calculated Property
η	0.0005467	Pa×s	403.07	Calculated Property
η	0.0004278	Pa×s	427.39	Calculated Property
η	0.0003437	Pa×s	451.70	Calculated Property
η	0.0002824	Pa×s	476.02	Calculated Property

Similar Compounds

Find more compounds similar to SEC-BUTYL ACETOACETATE.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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