Chemical Properties of Butanoic acid, 2,2-dimethyl-3-oxo-, methyl ester (CAS 38923-57-8)

InChI

InChI=1S/C7H12O3/c1-5(8)7(2,3)6(9)10-4/h1-4H3

InChI Key

LVSDLZIEHYYLTC-UHFFFAOYSA-N

Formula

C7H12O3

SMILES

COC(=O)C(C)(C)C(C)=O

Molecular Weight¹

144.17

CAS

38923-57-8

Other Names

• 2,2-Dimethyl-3-oxobutyric acid, methyl ester
• Acetoacetic acid, 2,2-dimethyl-, methyl ester
• methyl 2,2-dimethylacetoacetate

• ω : Acentric Factor.
• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[169.78; 379.06]	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			4.82000e+00
Coefficient B			7.11880e-01
Coefficient C			-4.15500e-04
Coefficient D			7.78600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	169.78	J/mol×K	273.00	Calculated Property
Cp,gas	208.11	J/mol×K	353.78	Calculated Property
Cp,gas	242.10	J/mol×K	434.56	Calculated Property
Cp,gas	271.99	J/mol×K	515.33	Calculated Property
Cp,gas	298.03	J/mol×K	596.11	Calculated Property
Cp,gas	320.46	J/mol×K	676.89	Calculated Property
Cp,gas	339.53	J/mol×K	757.67	Calculated Property
Cp,gas	355.49	J/mol×K	838.44	Calculated Property
Cp,gas	368.59	J/mol×K	919.22	Calculated Property
Cp,gas	379.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0060618; 0.0002903]	Pa×s	[263.33; 464.82]	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			-1.21160e+01
Coefficient B			1.84601e+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.			263.33
Temperature range, max.			464.82
η	0.0060618	Pa×s	263.33	Calculated Property
η	0.0034998	Pa×s	285.72	Calculated Property
η	0.0021885	Pa×s	308.11	Calculated Property
η	0.0014584	Pa×s	330.49	Calculated Property
η	0.0010232	Pa×s	352.88	Calculated Property
η	0.0007489	Pa×s	375.27	Calculated Property
η	0.0005678	Pa×s	397.66	Calculated Property
η	0.0004433	Pa×s	420.05	Calculated Property
η	0.0003549	Pa×s	442.44	Calculated Property
η	0.0002903	Pa×s	464.82	Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 2,2-dimethyl-3-oxo-, methyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.