Chemical Properties of Diethylmalonic acid, monochloride, hexyl ester

InChI

InChI=1S/C13H23ClO3/c1-4-7-8-9-10-17-12(16)13(5-2,6-3)11(14)15/h4-10H2,1-3H3

InChI Key

ZXXOWJUQLRKQDM-UHFFFAOYSA-N

Formula

C13H23ClO3

SMILES

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

Molecular Weight¹

262.77

• 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	[310.47; 696.88]	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			1.22570e+01
Coefficient B			1.28866e+00
Coefficient C			-7.62300e-04
Coefficient D			1.58260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	310.47	J/mol×K	273.00	Calculated Property
Cp,gas	379.76	J/mol×K	353.78	Calculated Property
Cp,gas	441.29	J/mol×K	434.56	Calculated Property
Cp,gas	495.56	J/mol×K	515.33	Calculated Property
Cp,gas	543.08	J/mol×K	596.11	Calculated Property
Cp,gas	584.35	J/mol×K	676.89	Calculated Property
Cp,gas	619.86	J/mol×K	757.67	Calculated Property
Cp,gas	650.12	J/mol×K	838.44	Calculated Property
Cp,gas	675.62	J/mol×K	919.22	Calculated Property
Cp,gas	696.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028858; 0.0001916]	Pa×s	[360.87; 581.11]	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			-1.30037e+01
Coefficient B			2.58229e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			360.87
Temperature range, max.			581.11
η	0.0028858	Pa×s	360.87	Calculated Property
η	0.0018319	Pa×s	385.34	Calculated Property
η	0.0012278	Pa×s	409.81	Calculated Property
η	0.0008608	Pa×s	434.28	Calculated Property
η	0.0006269	Pa×s	458.76	Calculated Property
η	0.0004714	Pa×s	483.23	Calculated Property
η	0.0003643	Pa×s	507.70	Calculated Property
η	0.0002884	Pa×s	532.17	Calculated Property
η	0.0002330	Pa×s	556.64	Calculated Property
η	0.0001916	Pa×s	581.11	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, hexyl ester.

Sources

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

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