Chemical Properties of Dimethylmalonic acid, heptadecyl neopentyl ester

InChI

InChI=1S/C27H52O4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30-24(28)27(5,6)25(29)31-23-26(2,3)4/h7-23H2,1-6H3

InChI Key

ILVDDEOEDNKTGJ-UHFFFAOYSA-N

Formula

C27H52O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)OCC(C)(C)C

Molecular Weight¹

440.71

• 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).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[608.01; 1431.44]	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			-1.97830e+01
Coefficient B			2.71092e+00
Coefficient C			-1.59940e-03
Coefficient D			3.39700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	608.01	J/mol×K	273.00	Calculated Property
Cp,gas	754.14	J/mol×K	353.78	Calculated Property
Cp,gas	884.11	J/mol×K	434.56	Calculated Property
Cp,gas	998.98	J/mol×K	515.33	Calculated Property
Cp,gas	1099.84	J/mol×K	596.11	Calculated Property
Cp,gas	1187.75	J/mol×K	676.89	Calculated Property
Cp,gas	1263.79	J/mol×K	757.67	Calculated Property
Cp,gas	1329.04	J/mol×K	838.44	Calculated Property
Cp,gas	1384.56	J/mol×K	919.22	Calculated Property
Cp,gas	1431.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004895; 0.0000174]	Pa×s	[483.55; 795.79]	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			-1.61286e+01
Coefficient B			4.11328e+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.			483.55
Temperature range, max.			795.79
η	0.0004895	Pa×s	483.55	Calculated Property
η	0.0002770	Pa×s	518.24	Calculated Property
η	0.0001683	Pa×s	552.94	Calculated Property
η	0.0001085	Pa×s	587.63	Calculated Property
η	0.0000734	Pa×s	622.32	Calculated Property
η	0.0000518	Pa×s	657.02	Calculated Property
η	0.0000378	Pa×s	691.71	Calculated Property
η	0.0000285	Pa×s	726.40	Calculated Property
η	0.0000220	Pa×s	761.09	Calculated Property
η	0.0000174	Pa×s	795.79	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, heptadecyl neopentyl ester.

Sources

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

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