Chemical Properties of Malonic acid, 2-chloropropyl hexyl ester

InChI

InChI=1S/C12H21ClO4/c1-3-4-5-6-7-16-11(14)8-12(15)17-9-10(2)13/h10H,3-9H2,1-2H3

InChI Key

XHGYTOCDBVKYCB-UHFFFAOYSA-N

Formula

C12H21ClO4

SMILES

CCCCCCOC(=O)CC(=O)OCC(C)Cl

Molecular Weight¹

264.75

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[305.81; 663.45]	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			5.40070e+01
Coefficient B			1.04694e+00
Coefficient C			-4.63400e-04
Coefficient D			2.59000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	305.81	J/mol×K	273.00	Calculated Property
Cp,gas	367.54	J/mol×K	353.78	Calculated Property
Cp,gas	423.58	J/mol×K	434.56	Calculated Property
Cp,gas	474.01	J/mol×K	515.33	Calculated Property
Cp,gas	518.92	J/mol×K	596.11	Calculated Property
Cp,gas	558.38	J/mol×K	676.89	Calculated Property
Cp,gas	592.48	J/mol×K	757.67	Calculated Property
Cp,gas	621.31	J/mol×K	838.44	Calculated Property
Cp,gas	644.94	J/mol×K	919.22	Calculated Property
Cp,gas	663.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039664; 0.0001640]	Pa×s	[324.58; 565.22]	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			-1.30132e+01
Coefficient B			2.42894e+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.			324.58
Temperature range, max.			565.22
η	0.0039664	Pa×s	324.58	Calculated Property
η	0.0022442	Pa×s	351.32	Calculated Property
η	0.0013763	Pa×s	378.06	Calculated Property
η	0.0009003	Pa×s	404.79	Calculated Property
η	0.0006208	Pa×s	431.53	Calculated Property
η	0.0004470	Pa×s	458.27	Calculated Property
η	0.0003337	Pa×s	485.01	Calculated Property
η	0.0002569	Pa×s	511.74	Calculated Property
η	0.0002030	Pa×s	538.48	Calculated Property
η	0.0001640	Pa×s	565.22	Calculated Property

Similar Compounds

Find more compounds similar to Malonic acid, 2-chloropropyl hexyl ester.

Sources

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

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