Chemical Properties of Dimethylmalonic acid, isobutyl 2-naphthylmethyl ester

InChI

InChI=1S/C20H24O4/c1-14(2)12-23-18(21)20(3,4)19(22)24-13-15-9-10-16-7-5-6-8-17(16)11-15/h5-11,14H,12-13H2,1-4H3

InChI Key

DMMCGFFOYNPJKA-UHFFFAOYSA-N

Formula

C20H24O4

SMILES

CC(C)COC(=O)C(C)(C)C(=O)OCc1ccc2ccccc2c1

Molecular Weight¹

328.40

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[364.95; 857.02]	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			-4.16780e+01
Coefficient B			1.78388e+00
Coefficient C			-1.15088e-03
Coefficient D			2.65700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	364.95	J/mol×K	273.00	Calculated Property
Cp,gas	457.14	J/mol×K	353.78	Calculated Property
Cp,gas	537.99	J/mol×K	434.56	Calculated Property
Cp,gas	608.34	J/mol×K	515.33	Calculated Property
Cp,gas	669.03	J/mol×K	596.11	Calculated Property
Cp,gas	720.91	J/mol×K	676.89	Calculated Property
Cp,gas	764.80	J/mol×K	757.67	Calculated Property
Cp,gas	801.56	J/mol×K	838.44	Calculated Property
Cp,gas	832.02	J/mol×K	919.22	Calculated Property
Cp,gas	857.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010083; 0.0000944]	Pa×s	[458.88; 728.65]	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			-1.32977e+01
Coefficient B			2.93604e+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.			458.88
Temperature range, max.			728.65
η	0.0010083	Pa×s	458.88	Calculated Property
η	0.0006811	Pa×s	488.85	Calculated Property
η	0.0004814	Pa×s	518.83	Calculated Property
η	0.0003534	Pa×s	548.80	Calculated Property
η	0.0002679	Pa×s	578.78	Calculated Property
η	0.0002087	Pa×s	608.75	Calculated Property
η	0.0001664	Pa×s	638.73	Calculated Property
η	0.0001354	Pa×s	668.70	Calculated Property
η	0.0001122	Pa×s	698.67	Calculated Property
η	0.0000944	Pa×s	728.65	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, isobutyl 2-naphthylmethyl ester.

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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