Chemical Properties of Malonic acid, 8-chlorooctyl isobutyl ester

InChI

InChI=1S/C15H27ClO4/c1-13(2)12-20-15(18)11-14(17)19-10-8-6-4-3-5-7-9-16/h13H,3-12H2,1-2H3

InChI Key

HSJUCFNMXKNWJC-UHFFFAOYSA-N

Formula

C15H27ClO4

SMILES

CC(C)COC(=O)CC(=O)OCCCCCCCCCl

Molecular Weight¹

306.82

• 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).
• 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, 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	[369.45; 818.22]	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			5.12800e+01
Coefficient B			1.33194e+00
Coefficient C			-6.26600e-04
Coefficient D			6.16000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	369.45	J/mol×K	273.00	Calculated Property
Cp,gas	446.79	J/mol×K	353.78	Calculated Property
Cp,gas	516.81	J/mol×K	434.56	Calculated Property
Cp,gas	579.70	J/mol×K	515.33	Calculated Property
Cp,gas	635.65	J/mol×K	596.11	Calculated Property
Cp,gas	684.87	J/mol×K	676.89	Calculated Property
Cp,gas	727.53	J/mol×K	757.67	Calculated Property
Cp,gas	763.85	J/mol×K	838.44	Calculated Property
Cp,gas	794.02	J/mol×K	919.22	Calculated Property
Cp,gas	818.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027473; 0.0001197]	Pa×s	[358.39; 611.81]	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			-1.34627e+01
Coefficient B			2.71142e+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.			358.39
Temperature range, max.			611.81
η	0.0027473	Pa×s	358.39	Calculated Property
η	0.0015833	Pa×s	386.55	Calculated Property
η	0.0009834	Pa×s	414.71	Calculated Property
η	0.0006489	Pa×s	442.86	Calculated Property
η	0.0004500	Pa×s	471.02	Calculated Property
η	0.0003252	Pa×s	499.18	Calculated Property
η	0.0002434	Pa×s	527.34	Calculated Property
η	0.0001875	Pa×s	555.50	Calculated Property
η	0.0001482	Pa×s	583.65	Calculated Property
η	0.0001197	Pa×s	611.81	Calculated Property

Similar Compounds

Find more compounds similar to Malonic acid, 8-chlorooctyl isobutyl ester.

Sources

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

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