Chemical Properties of Pentanoic acid, 4,4-dimethyl-3-oxo-, methyl ester (CAS 55107-14-7)

InChI

InChI=1S/C8H14O3/c1-8(2,3)6(9)5-7(10)11-4/h5H2,1-4H3

InChI Key

XTXCFTMJPRXBBC-UHFFFAOYSA-N

Formula

C8H14O3

SMILES

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

Molecular Weight¹

158.19

CAS

55107-14-7

Other Names

• Methyl 4,4-dimethyl-3-oxovalerate
• Methyl 4,4-dimethyl-3-oxopentanoate
• Methyl pivaloylacetate
• Methyl 4,4,4-trimethyl-3-oxobutanoate
• Methyl 3-oxo-4,4-dimethylpentanoate

• 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_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

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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[190.99; 430.65]	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			3.91100e+00
Coefficient B			8.06880e-01
Coefficient C			-4.69900e-04
Coefficient D			8.97600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	190.99	J/mol×K	273.00	Calculated Property
Cp,gas	234.53	J/mol×K	353.78	Calculated Property
Cp,gas	273.18	J/mol×K	434.56	Calculated Property
Cp,gas	307.22	J/mol×K	515.33	Calculated Property
Cp,gas	336.94	J/mol×K	596.11	Calculated Property
Cp,gas	362.62	J/mol×K	676.89	Calculated Property
Cp,gas	384.55	J/mol×K	757.67	Calculated Property
Cp,gas	403.01	J/mol×K	838.44	Calculated Property
Cp,gas	418.28	J/mol×K	919.22	Calculated Property
Cp,gas	430.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0057606; 0.0002820]	Pa×s	[274.60; 479.21]	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			-1.22222e+01
Coefficient B			1.94017e+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.			274.60
Temperature range, max.			479.21
η	0.0057606	Pa×s	274.60	Calculated Property
η	0.0033562	Pa×s	297.33	Calculated Property
η	0.0021114	Pa×s	320.07	Calculated Property
η	0.0014125	Pa×s	342.80	Calculated Property
η	0.0009934	Pa×s	365.54	Calculated Property
η	0.0007280	Pa×s	388.27	Calculated Property
η	0.0005522	Pa×s	411.00	Calculated Property
η	0.0004312	Pa×s	433.74	Calculated Property
η	0.0003451	Pa×s	456.47	Calculated Property
η	0.0002820	Pa×s	479.21	Calculated Property

Similar Compounds

Find more compounds similar to Pentanoic acid, 4,4-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.