Chemical Properties of Dimethylmalonic acid, monochloride, isohexyl ester

InChI

InChI=1S/C11H19ClO3/c1-8(2)6-5-7-15-10(14)11(3,4)9(12)13/h8H,5-7H2,1-4H3

InChI Key

FWZMFPHPPPHGMC-UHFFFAOYSA-N

Formula

C11H19ClO3

SMILES

CC(C)CCCOC(=O)C(C)(C)C(=O)Cl

Molecular Weight¹

234.72

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[267.73; 594.23]	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			1.23930e+01
Coefficient B			1.10458e+00
Coefficient C			-6.56700e-04
Coefficient D			1.33960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	267.73	J/mol×K	273.00	Calculated Property
Cp,gas	326.91	J/mol×K	353.78	Calculated Property
Cp,gas	379.38	J/mol×K	434.56	Calculated Property
Cp,gas	425.55	J/mol×K	515.33	Calculated Property
Cp,gas	465.86	J/mol×K	596.11	Calculated Property
Cp,gas	500.73	J/mol×K	676.89	Calculated Property
Cp,gas	530.58	J/mol×K	757.67	Calculated Property
Cp,gas	555.83	J/mol×K	838.44	Calculated Property
Cp,gas	576.90	J/mol×K	919.22	Calculated Property
Cp,gas	594.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0048367; 0.0002111]	Pa×s	[323.33; 554.03]	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			-1.28526e+01
Coefficient B			2.43179e+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.			323.33
Temperature range, max.			554.03
η	0.0048367	Pa×s	323.33	Calculated Property
η	0.0027837	Pa×s	348.96	Calculated Property
η	0.0017279	Pa×s	374.60	Calculated Property
η	0.0011401	Pa×s	400.23	Calculated Property
η	0.0007909	Pa×s	425.86	Calculated Property
η	0.0005719	Pa×s	451.50	Calculated Property
η	0.0004282	Pa×s	477.13	Calculated Property
η	0.0003302	Pa×s	502.76	Calculated Property
η	0.0002612	Pa×s	528.40	Calculated Property
η	0.0002111	Pa×s	554.03	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, monochloride, isohexyl 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

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.