Chemical Properties of 1,3-Dichloroisopropyl isohexanoate

InChI

InChI=1S/C9H16Cl2O2/c1-7(2)4-5-8(12)13-9(3,11)6-10/h7H,4-6H2,1-3H3

InChI Key

AQIXRRIYUDNUTN-UHFFFAOYSA-N

Formula

C9H16Cl2O2

SMILES

CC(C)CCC(=O)OC(C)(Cl)CCl

Molecular Weight¹

227.13

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[237.78; 510.30]	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			1.97430e+01
Coefficient B			9.49360e-01
Coefficient C			-5.87000e-04
Coefficient D			1.28200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	237.78	J/mol×K	273.00	Calculated Property
Cp,gas	287.81	J/mol×K	353.78	Calculated Property
Cp,gas	331.96	J/mol×K	434.56	Calculated Property
Cp,gas	370.64	J/mol×K	515.33	Calculated Property
Cp,gas	404.23	J/mol×K	596.11	Calculated Property
Cp,gas	433.16	J/mol×K	676.89	Calculated Property
Cp,gas	457.83	J/mol×K	757.67	Calculated Property
Cp,gas	478.64	J/mol×K	838.44	Calculated Property
Cp,gas	495.99	J/mol×K	919.22	Calculated Property
Cp,gas	510.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0073947; 0.0002268]	Pa×s	[280.78; 511.58]	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			-1.26305e+01
Coefficient B			2.16860e+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.			280.78
Temperature range, max.			511.58
η	0.0073947	Pa×s	280.78	Calculated Property
η	0.0038744	Pa×s	306.42	Calculated Property
η	0.0022431	Pa×s	332.07	Calculated Property
η	0.0014045	Pa×s	357.71	Calculated Property
η	0.0009363	Pa×s	383.36	Calculated Property
η	0.0006567	Pa×s	409.00	Calculated Property
η	0.0004803	Pa×s	434.65	Calculated Property
η	0.0003637	Pa×s	460.29	Calculated Property
η	0.0002837	Pa×s	485.94	Calculated Property
η	0.0002268	Pa×s	511.58	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dichloroisopropyl isohexanoate.

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

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