Chemical Properties of Propionic acid, 2,2-dichloro-, pentyl ester

InChI

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

InChI Key

ZCPOSLAFHCNHBE-UHFFFAOYSA-N

Formula

C8H14Cl2O2

SMILES

CCCCCOC(=O)C(C)(Cl)Cl

Molecular Weight¹

213.10

Other Names

• Propanoic acid, 2,2-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).
• 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	[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 Propionic acid, 2,2-dichloro-, pentyl ester.

Sources

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

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