Chemical Properties of Dimethylmalonic acid, monochloride, isobutyl ester

InChI

InChI=1S/C9H15ClO3/c1-6(2)5-13-8(12)9(3,4)7(10)11/h6H,5H2,1-4H3

InChI Key

GOYWSOYAZVNGHL-UHFFFAOYSA-N

Formula

C9H15ClO3

SMILES

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

Molecular Weight¹

206.67

• 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	[225.30; 491.05]	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			1.42110e+01
Coefficient B			9.14580e-01
Coefficient C			-5.47900e-04
Coefficient D			1.10160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	225.30	J/mol×K	273.00	Calculated Property
Cp,gas	274.07	J/mol×K	353.78	Calculated Property
Cp,gas	317.22	J/mol×K	434.56	Calculated Property
Cp,gas	355.10	J/mol×K	515.33	Calculated Property
Cp,gas	388.04	J/mol×K	596.11	Calculated Property
Cp,gas	416.41	J/mol×K	676.89	Calculated Property
Cp,gas	440.54	J/mol×K	757.67	Calculated Property
Cp,gas	460.80	J/mol×K	838.44	Calculated Property
Cp,gas	477.52	J/mol×K	919.22	Calculated Property
Cp,gas	491.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0059564; 0.0002449]	Pa×s	[300.79; 525.72]	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			-1.25819e+01
Coefficient B			2.24347e+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.			300.79
Temperature range, max.			525.72
η	0.0059564	Pa×s	300.79	Calculated Property
η	0.0033611	Pa×s	325.78	Calculated Property
η	0.0020578	Pa×s	350.77	Calculated Property
η	0.0013448	Pa×s	375.77	Calculated Property
η	0.0009267	Pa×s	400.76	Calculated Property
η	0.0006672	Pa×s	425.75	Calculated Property
η	0.0004981	Pa×s	450.74	Calculated Property
η	0.0003835	Pa×s	475.74	Calculated Property
η	0.0003031	Pa×s	500.73	Calculated Property
η	0.0002449	Pa×s	525.72	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, monochloride, isobutyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.