Chemical Properties of 1,3-Dichloroisopropyl propionate

InChI

InChI=1S/C6H10Cl2O2/c1-3-5(9)10-6(2,8)4-7/h3-4H2,1-2H3

InChI Key

COGMNUVPPFECPW-UHFFFAOYSA-N

Formula

C6H10Cl2O2

SMILES

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

Molecular Weight¹

185.05

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[174.45; 354.99]	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			2.41520e+01
Coefficient B			6.58440e-01
Coefficient C			-4.20600e-04
Coefficient D			9.30000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	174.45	J/mol×K	273.00	Calculated Property
Cp,gas	208.57	J/mol×K	353.78	Calculated Property
Cp,gas	238.49	J/mol×K	434.56	Calculated Property
Cp,gas	264.50	J/mol×K	515.33	Calculated Property
Cp,gas	286.90	J/mol×K	596.11	Calculated Property
Cp,gas	305.98	J/mol×K	676.89	Calculated Property
Cp,gas	322.03	J/mol×K	757.67	Calculated Property
Cp,gas	335.36	J/mol×K	838.44	Calculated Property
Cp,gas	346.24	J/mol×K	919.22	Calculated Property
Cp,gas	354.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0064158; 0.0002916]	Pa×s	[261.97; 466.24]	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			-1.21044e+01
Coefficient B			1.84830e+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.			261.97
Temperature range, max.			466.24
η	0.0064158	Pa×s	261.97	Calculated Property
η	0.0036555	Pa×s	284.67	Calculated Property
η	0.0022632	Pa×s	307.36	Calculated Property
η	0.0014967	Pa×s	330.06	Calculated Property
η	0.0010439	Pa×s	352.76	Calculated Property
η	0.0007605	Pa×s	375.46	Calculated Property
η	0.0005744	Pa×s	398.15	Calculated Property
η	0.0004472	Pa×s	420.85	Calculated Property
η	0.0003572	Pa×s	443.55	Calculated Property
η	0.0002916	Pa×s	466.24	Calculated Property

Similar Compounds

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

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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