Chemical Properties of 2,2,4-Trimethyl-3-oxovaleric acid, ethyl ester

InChI

InChI=1S/C10H18O3/c1-6-13-9(12)10(4,5)8(11)7(2)3/h7H,6H2,1-5H3

InChI Key

IINVHMMMAUHNDG-UHFFFAOYSA-N

Formula

C10H18O3

SMILES

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

Molecular Weight¹

186.25

• 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).
• 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, 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	[233.11; 534.37]	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			4.11000e-01
Coefficient B			1.00280e+00
Coefficient C			-5.81900e-04
Coefficient D			1.13060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	233.11	J/mol×K	273.00	Calculated Property
Cp,gas	287.36	J/mol×K	353.78	Calculated Property
Cp,gas	335.58	J/mol×K	434.56	Calculated Property
Cp,gas	378.13	J/mol×K	515.33	Calculated Property
Cp,gas	415.36	J/mol×K	596.11	Calculated Property
Cp,gas	447.65	J/mol×K	676.89	Calculated Property
Cp,gas	475.33	J/mol×K	757.67	Calculated Property
Cp,gas	498.77	J/mol×K	838.44	Calculated Property
Cp,gas	518.33	J/mol×K	919.22	Calculated Property
Cp,gas	534.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0073521; 0.0002372]	Pa×s	[282.14; 510.42]	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			-1.25909e+01
Coefficient B			2.16631e+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.			282.14
Temperature range, max.			510.42
η	0.0073521	Pa×s	282.14	Calculated Property
η	0.0039027	Pa×s	307.50	Calculated Property
η	0.0022815	Pa×s	332.87	Calculated Property
η	0.0014392	Pa×s	358.23	Calculated Property
η	0.0009648	Pa×s	383.60	Calculated Property
η	0.0006797	Pa×s	408.96	Calculated Property
η	0.0004989	Pa×s	434.33	Calculated Property
η	0.0003789	Pa×s	459.69	Calculated Property
η	0.0002961	Pa×s	485.05	Calculated Property
η	0.0002372	Pa×s	510.42	Calculated Property

Similar Compounds

Find more compounds similar to 2,2,4-Trimethyl-3-oxovaleric acid, ethyl ester.

Sources

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

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