Chemical Properties of Pentyl 2,3-dichloropropanoate

InChI

InChI=1S/C8H14Cl2O2/c1-2-3-4-5-12-8(11)7(10)6-9/h7H,2-6H2,1H3

InChI Key

AGXZEEWUNWRXLL-UHFFFAOYSA-N

Formula

C8H14Cl2O2

SMILES

CCCCCOC(=O)C(Cl)CCl

Molecular Weight¹

213.10

Other Names

• Propanoic acid, 2,3-dichloro, pentyl ester

• 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.
• I : 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	[218.02; 457.24]	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			4.51250e+01
Coefficient B			7.28520e-01
Coefficient C			-3.60800e-04
Coefficient D			4.44000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	218.02	J/mol×K	273.00	Calculated Property
Cp,gas	259.67	J/mol×K	353.78	Calculated Property
Cp,gas	297.22	J/mol×K	434.56	Calculated Property
Cp,gas	330.81	J/mol×K	515.33	Calculated Property
Cp,gas	360.60	J/mol×K	596.11	Calculated Property
Cp,gas	386.71	J/mol×K	676.89	Calculated Property
Cp,gas	409.29	J/mol×K	757.67	Calculated Property
Cp,gas	428.48	J/mol×K	838.44	Calculated Property
Cp,gas	444.42	J/mol×K	919.22	Calculated Property
Cp,gas	457.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0061273; 0.0002662]	Pa×s	[267.09; 491.66]	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			-1.19612e+01
Coefficient B			1.83390e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			267.09
Temperature range, max.			491.66
η	0.0061273	Pa×s	267.09	Calculated Property
η	0.0034080	Pa×s	292.04	Calculated Property
η	0.0020789	Pa×s	316.99	Calculated Property
η	0.0013630	Pa×s	341.95	Calculated Property
η	0.0009464	Pa×s	366.90	Calculated Property
η	0.0006884	Pa×s	391.85	Calculated Property
η	0.0005202	Pa×s	416.80	Calculated Property
η	0.0004057	Pa×s	441.75	Calculated Property
η	0.0003250	Pa×s	466.71	Calculated Property
η	0.0002662	Pa×s	491.66	Calculated Property

Similar Compounds

Find more compounds similar to Pentyl 2,3-dichloropropanoate.

Sources

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

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