Chemical Properties of Methyl-2,6-Dimethyl-5-oxoheptanoate

InChI

InChI=1S/C10H18O3/c1-7(2)9(11)6-5-8(3)10(12)13-4/h7-8H,5-6H2,1-4H3

InChI Key

UDVSCIOUANKHJU-UHFFFAOYSA-N

Formula

C10H18O3

SMILES

COC(=O)C(C)CCC(=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).
• I_np : Non-polar retention indices.
• 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	[234.25; 533.44]	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			2.32020e+01
Coefficient B			8.82880e-01
Coefficient C			-4.13300e-04
Coefficient D			4.06600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	234.25	J/mol×K	273.00	Calculated Property
Cp,gas	285.62	J/mol×K	353.78	Calculated Property
Cp,gas	332.15	J/mol×K	434.56	Calculated Property
Cp,gas	373.98	J/mol×K	515.33	Calculated Property
Cp,gas	411.24	J/mol×K	596.11	Calculated Property
Cp,gas	444.06	J/mol×K	676.89	Calculated Property
Cp,gas	472.56	J/mol×K	757.67	Calculated Property
Cp,gas	496.87	J/mol×K	838.44	Calculated Property
Cp,gas	517.12	J/mol×K	919.22	Calculated Property
Cp,gas	533.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0084525; 0.0002431]	Pa×s	[264.72; 507.54]	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			-1.21909e+01
Coefficient B			1.96359e+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.			264.72
Temperature range, max.			507.54
η	0.0084525	Pa×s	264.72	Calculated Property
η	0.0042562	Pa×s	291.70	Calculated Property
η	0.0024072	Pa×s	318.68	Calculated Property
η	0.0014882	Pa×s	345.66	Calculated Property
η	0.0009863	Pa×s	372.64	Calculated Property
η	0.0006911	Pa×s	399.62	Calculated Property
η	0.0005065	Pa×s	426.60	Calculated Property
η	0.0003852	Pa×s	453.58	Calculated Property
η	0.0003021	Pa×s	480.56	Calculated Property
η	0.0002431	Pa×s	507.54	Calculated Property

Similar Compounds

Find more compounds similar to Methyl-2,6-Dimethyl-5-oxoheptanoate.

Sources

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

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