Chemical Properties of 2,3-Dichloropropyl isobutyrate

InChI

InChI=1S/C7H12Cl2O2/c1-5(2)7(10)11-4-6(9)3-8/h5-6H,3-4H2,1-2H3

InChI Key

QVKBGXGFHZCSQM-UHFFFAOYSA-N

Formula

C7H12Cl2O2

SMILES

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

Molecular Weight¹

199.08

Other Names

• 1-Propanol, 2,3-dichloro, 2-methylpropanoate

• 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).
• 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, 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	[196.50; 406.19]	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			4.43520e+01
Coefficient B			6.39440e-01
Coefficient C			-3.09600e-04
Coefficient D			3.20000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	196.50	J/mol×K	273.00	Calculated Property
Cp,gas	233.24	J/mol×K	353.78	Calculated Property
Cp,gas	266.39	J/mol×K	434.56	Calculated Property
Cp,gas	296.04	J/mol×K	515.33	Calculated Property
Cp,gas	322.29	J/mol×K	596.11	Calculated Property
Cp,gas	345.25	J/mol×K	676.89	Calculated Property
Cp,gas	365.02	J/mol×K	757.67	Calculated Property
Cp,gas	381.70	J/mol×K	838.44	Calculated Property
Cp,gas	395.39	J/mol×K	919.22	Calculated Property
Cp,gas	406.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0102239; 0.0002589]	Pa×s	[240.82; 479.74]	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			-1.19643e+01
Coefficient B			1.77756e+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.			240.82
Temperature range, max.			479.74
η	0.0102239	Pa×s	240.82	Calculated Property
η	0.0049128	Pa×s	267.37	Calculated Property
η	0.0026949	Pa×s	293.91	Calculated Property
η	0.0016329	Pa×s	320.46	Calculated Property
η	0.0010682	Pa×s	347.01	Calculated Property
η	0.0007423	Pa×s	373.55	Calculated Property
η	0.0005413	Pa×s	400.10	Calculated Property
η	0.0004106	Pa×s	426.65	Calculated Property
η	0.0003217	Pa×s	453.19	Calculated Property
η	0.0002589	Pa×s	479.74	Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Dichloropropyl isobutyrate.

Sources

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

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