Chemical Properties of 1,3-Dichloroisopropyl butyrate

InChI

InChI=1S/C7H12Cl2O2/c1-3-4-6(10)11-7(2,9)5-8/h3-5H2,1-2H3

InChI Key

QDOBHQKYXRPNEU-UHFFFAOYSA-N

Formula

C7H12Cl2O2

SMILES

CCCC(=O)OC(C)(Cl)CCl

Molecular Weight¹

199.07

• ω : Acentric Factor.
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[195.67; 406.58]	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			2.32430e+01
Coefficient B			7.53440e-01
Coefficient C			-4.75000e-04
Coefficient D			1.04900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.67	J/mol×K	273.00	Calculated Property
Cp,gas	234.99	J/mol×K	353.78	Calculated Property
Cp,gas	269.56	J/mol×K	434.56	Calculated Property
Cp,gas	299.73	J/mol×K	515.33	Calculated Property
Cp,gas	325.81	J/mol×K	596.11	Calculated Property
Cp,gas	348.14	J/mol×K	676.89	Calculated Property
Cp,gas	367.05	J/mol×K	757.67	Calculated Property
Cp,gas	382.87	J/mol×K	838.44	Calculated Property
Cp,gas	395.94	J/mol×K	919.22	Calculated Property
Cp,gas	406.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0059681; 0.0002780]	Pa×s	[273.24; 480.51]	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			-1.22303e+01
Coefficient B			1.94246e+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.			273.24
Temperature range, max.			480.51
η	0.0059681	Pa×s	273.24	Calculated Property
η	0.0034343	Pa×s	296.27	Calculated Property
η	0.0021403	Pa×s	319.30	Calculated Property
η	0.0014214	Pa×s	342.33	Calculated Property
η	0.0009940	Pa×s	365.36	Calculated Property
η	0.0007252	Pa×s	388.39	Calculated Property
η	0.0005481	Pa×s	411.42	Calculated Property
η	0.0004268	Pa×s	434.45	Calculated Property
η	0.0003408	Pa×s	457.48	Calculated Property
η	0.0002780	Pa×s	480.51	Calculated Property

Similar Compounds

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

Sources

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

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