Chemical Properties of Dimethylmalonic acid, monochloride, neopentyl ester

InChI

InChI=1S/C10H17ClO3/c1-9(2,3)6-14-8(13)10(4,5)7(11)12/h6H2,1-5H3

InChI Key

PLRQBCQJESPELA-UHFFFAOYSA-N

Formula

C10H17ClO3

SMILES

CC(C)(C)COC(=O)C(C)(C)C(=O)Cl

Molecular Weight¹

220.69

• 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).
• 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[245.37; 543.57]	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			-9.48900e+00
Coefficient B			1.12950e+00
Coefficient C			-7.70900e-04
Coefficient D			1.94460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	245.37	J/mol×K	273.00	Calculated Property
Cp,gas	302.23	J/mol×K	353.78	Calculated Property
Cp,gas	351.72	J/mol×K	434.56	Calculated Property
Cp,gas	394.47	J/mol×K	515.33	Calculated Property
Cp,gas	431.07	J/mol×K	596.11	Calculated Property
Cp,gas	462.16	J/mol×K	676.89	Calculated Property
Cp,gas	488.33	J/mol×K	757.67	Calculated Property
Cp,gas	510.22	J/mol×K	838.44	Calculated Property
Cp,gas	528.43	J/mol×K	919.22	Calculated Property
Cp,gas	543.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0044939; 0.0002167]	Pa×s	[329.48; 543.02]	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			-1.31152e+01
Coefficient B			2.54035e+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.			329.48
Temperature range, max.			543.02
η	0.0044939	Pa×s	329.48	Calculated Property
η	0.0026772	Pa×s	353.21	Calculated Property
η	0.0017024	Pa×s	376.93	Calculated Property
η	0.0011422	Pa×s	400.66	Calculated Property
η	0.0008013	Pa×s	424.39	Calculated Property
η	0.0005836	Pa×s	448.11	Calculated Property
η	0.0004389	Pa×s	471.84	Calculated Property
η	0.0003392	Pa×s	495.57	Calculated Property
η	0.0002683	Pa×s	519.29	Calculated Property
η	0.0002167	Pa×s	543.02	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, monochloride, neopentyl 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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