Chemical Properties of 1,3-Dichloroisopropyl pentanoate

InChI

InChI=1S/C8H14Cl2O2/c1-3-4-5-7(11)12-8(2,10)6-9/h3-6H2,1-2H3

InChI Key

OEMJJSRUWZBVRG-UHFFFAOYSA-N

Formula

C8H14Cl2O2

SMILES

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

Molecular Weight¹

213.10

• 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).
• 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	[216.88; 458.17]	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			2.23340e+01
Coefficient B			8.48440e-01
Coefficient C			-5.29400e-04
Coefficient D			1.16800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	216.88	J/mol×K	273.00	Calculated Property
Cp,gas	261.41	J/mol×K	353.78	Calculated Property
Cp,gas	300.64	J/mol×K	434.56	Calculated Property
Cp,gas	334.96	J/mol×K	515.33	Calculated Property
Cp,gas	364.72	J/mol×K	596.11	Calculated Property
Cp,gas	390.30	J/mol×K	676.89	Calculated Property
Cp,gas	412.06	J/mol×K	757.67	Calculated Property
Cp,gas	430.39	J/mol×K	838.44	Calculated Property
Cp,gas	445.63	J/mol×K	919.22	Calculated Property
Cp,gas	458.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0055007; 0.0002626]	Pa×s	[284.51; 494.78]	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			-1.23612e+01
Coefficient B			2.03662e+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.			284.51
Temperature range, max.			494.78
η	0.0055007	Pa×s	284.51	Calculated Property
η	0.0031952	Pa×s	307.87	Calculated Property
η	0.0020039	Pa×s	331.24	Calculated Property
η	0.0013364	Pa×s	354.60	Calculated Property
η	0.0009370	Pa×s	377.96	Calculated Property
η	0.0006847	Pa×s	401.33	Calculated Property
η	0.0005179	Pa×s	424.69	Calculated Property
η	0.0004033	Pa×s	448.05	Calculated Property
η	0.0003220	Pa×s	471.42	Calculated Property
η	0.0002626	Pa×s	494.78	Calculated Property

Similar Compounds

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

Sources

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

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