Chemical Properties of Dimethylmalonic acid, dineopentyl ester

InChI

InChI=1S/C15H28O4/c1-13(2,3)9-18-11(16)15(7,8)12(17)19-10-14(4,5)6/h9-10H2,1-8H3

InChI Key

KTPGOWDCUARQOF-UHFFFAOYSA-N

Formula

C15H28O4

SMILES

CC(C)(C)COC(=O)C(C)(C)C(=O)OCC(C)(C)C

Molecular Weight¹

272.38

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, 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	[351.98; 813.81]	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			-3.33480e+01
Coefficient B			1.69676e+00
Coefficient C			-1.11840e-03
Coefficient D			2.68800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	351.98	J/mol×K	273.00	Calculated Property
Cp,gas	438.85	J/mol×K	353.78	Calculated Property
Cp,gas	514.85	J/mol×K	434.56	Calculated Property
Cp,gas	580.82	J/mol×K	515.33	Calculated Property
Cp,gas	637.63	J/mol×K	596.11	Calculated Property
Cp,gas	686.11	J/mol×K	676.89	Calculated Property
Cp,gas	727.12	J/mol×K	757.67	Calculated Property
Cp,gas	761.50	J/mol×K	838.44	Calculated Property
Cp,gas	790.12	J/mol×K	919.22	Calculated Property
Cp,gas	813.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038341; 0.0000920]	Pa×s	[350.73; 590.25]	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			-1.47558e+01
Coefficient B			3.22390e+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.			350.73
Temperature range, max.			590.25
η	0.0038341	Pa×s	350.73	Calculated Property
η	0.0020050	Pa×s	377.34	Calculated Property
η	0.0011420	Pa×s	403.96	Calculated Property
η	0.0006973	Pa×s	430.57	Calculated Property
η	0.0004510	Pa×s	457.18	Calculated Property
η	0.0003060	Pa×s	483.80	Calculated Property
η	0.0002162	Pa×s	510.41	Calculated Property
η	0.0001581	Pa×s	537.03	Calculated Property
η	0.0001190	Pa×s	563.64	Calculated Property
η	0.0000920	Pa×s	590.25	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, dineopentyl 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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