Chemical Properties of Dimethylmalonic acid, neopentyl pentyl ester

InChI

InChI=1S/C15H28O4/c1-7-8-9-10-18-12(16)15(5,6)13(17)19-11-14(2,3)4/h7-11H2,1-6H3

InChI Key

ZVKYKSQPTRELSZ-UHFFFAOYSA-N

Formula

C15H28O4

SMILES

CCCCCOC(=O)C(C)(C)C(=O)OCC(C)(C)C

Molecular Weight¹

272.38

• 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).
• 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 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[353.44; 812.35]	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			-8.87500e+00
Coefficient B			1.57092e+00
Coefficient C			-9.46600e-04
Coefficient D			1.96900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	353.44	J/mol×K	273.00	Calculated Property
Cp,gas	437.12	J/mol×K	353.78	Calculated Property
Cp,gas	511.18	J/mol×K	434.56	Calculated Property
Cp,gas	576.23	J/mol×K	515.33	Calculated Property
Cp,gas	632.90	J/mol×K	596.11	Calculated Property
Cp,gas	681.82	J/mol×K	676.89	Calculated Property
Cp,gas	723.60	J/mol×K	757.67	Calculated Property
Cp,gas	758.86	J/mol×K	838.44	Calculated Property
Cp,gas	788.24	J/mol×K	919.22	Calculated Property
Cp,gas	812.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034946; 0.0001079]	Pa×s	[348.31; 586.39]	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			-1.42218e+01
Coefficient B			2.98336e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			348.31
Temperature range, max.			586.39
η	0.0034946	Pa×s	348.31	Calculated Property
η	0.0019091	Pa×s	374.76	Calculated Property
η	0.0011295	Pa×s	401.22	Calculated Property
η	0.0007131	Pa×s	427.67	Calculated Property
η	0.0004749	Pa×s	454.12	Calculated Property
η	0.0003308	Pa×s	480.58	Calculated Property
η	0.0002393	Pa×s	507.03	Calculated Property
η	0.0001787	Pa×s	533.49	Calculated Property
η	0.0001372	Pa×s	559.94	Calculated Property
η	0.0001079	Pa×s	586.39	Calculated Property

Similar Compounds

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

Sources

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

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