Chemical Properties of Isopropyl, a,a-dichloropropionate

InChI

InChI=1S/C6H10Cl2O2/c1-4(2)10-5(9)6(3,7)8/h4H,1-3H3

InChI Key

QVZCJUSIWAGBDX-UHFFFAOYSA-N

Formula

C6H10Cl2O2

SMILES

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

Molecular Weight¹

185.05

Other Names

• Isopropyl «alpha»,«alpha»-dichloropropionate
• Isopropyl, alpha,alpha-dichloropropionate

• 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).
• 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 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	[174.14; 355.53]	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			2.24700e+01
Coefficient B			6.64360e-01
Coefficient C			-4.23800e-04
Coefficient D			9.25000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	174.14	J/mol×K	273.00	Calculated Property
Cp,gas	208.56	J/mol×K	353.78	Calculated Property
Cp,gas	238.73	J/mol×K	434.56	Calculated Property
Cp,gas	264.95	J/mol×K	515.33	Calculated Property
Cp,gas	287.50	J/mol×K	596.11	Calculated Property
Cp,gas	306.68	J/mol×K	676.89	Calculated Property
Cp,gas	322.78	J/mol×K	757.67	Calculated Property
Cp,gas	336.09	J/mol×K	838.44	Calculated Property
Cp,gas	346.91	J/mol×K	919.22	Calculated Property
Cp,gas	355.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0100384; 0.0002697]	Pa×s	[246.97; 469.17]	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			-1.22384e+01
Coefficient B			1.88612e+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.			246.97
Temperature range, max.			469.17
η	0.0100384	Pa×s	246.97	Calculated Property
η	0.0050146	Pa×s	271.66	Calculated Property
η	0.0028121	Pa×s	296.35	Calculated Property
η	0.0017237	Pa×s	321.04	Calculated Property
η	0.0011331	Pa×s	345.73	Calculated Property
η	0.0007876	Pa×s	370.41	Calculated Property
η	0.0005730	Pa×s	395.10	Calculated Property
η	0.0004327	Pa×s	419.79	Calculated Property
η	0.0003372	Pa×s	444.48	Calculated Property
η	0.0002697	Pa×s	469.17	Calculated Property

Similar Compounds

Find more compounds similar to Isopropyl, a,a-dichloropropionate.

Sources

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

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