Chemical Properties of 2,4-D, propyl ester (CAS 1928-61-6)

InChI

InChI=1S/C11H12Cl2O3/c1-2-5-15-11(14)7-16-10-4-3-8(12)6-9(10)13/h3-4,6H,2,5,7H2,1H3

InChI Key

URELEWKDONECLX-UHFFFAOYSA-N

Formula

C11H12Cl2O3

SMILES

CCCOC(=O)COc1ccc(Cl)cc1Cl

Molecular Weight¹

263.12

CAS

1928-61-6

Other Names

• propyl 2,4-dichlorophenoxyacetate
• 2,4-Dichlorophenoxyacetic acid, propyl ester

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[245.23; 505.37]	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			6.42730e+01
Coefficient B			7.46520e-01
Coefficient C			-3.06920e-04
Coefficient D			1.50000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	245.23	J/mol×K	273.00	Calculated Property
Cp,gas	290.03	J/mol×K	353.78	Calculated Property
Cp,gas	330.84	J/mol×K	434.56	Calculated Property
Cp,gas	367.68	J/mol×K	515.33	Calculated Property
Cp,gas	400.54	J/mol×K	596.11	Calculated Property
Cp,gas	429.43	J/mol×K	676.89	Calculated Property
Cp,gas	454.35	J/mol×K	757.67	Calculated Property
Cp,gas	475.31	J/mol×K	838.44	Calculated Property
Cp,gas	492.32	J/mol×K	919.22	Calculated Property
Cp,gas	505.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010872; 0.0001592]	Pa×s	[389.59; 600.46]	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			-1.22954e+01
Coefficient B			2.13155e+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.			389.59
Temperature range, max.			600.46
η	0.0010872	Pa×s	389.59	Calculated Property
η	0.0007971	Pa×s	413.02	Calculated Property
η	0.0006042	Pa×s	436.45	Calculated Property
η	0.0004711	Pa×s	459.88	Calculated Property
η	0.0003763	Pa×s	483.31	Calculated Property
η	0.0003069	Pa×s	506.74	Calculated Property
η	0.0002548	Pa×s	530.17	Calculated Property
η	0.0002150	Pa×s	553.60	Calculated Property
η	0.0001839	Pa×s	577.03	Calculated Property
η	0.0001592	Pa×s	600.46	Calculated Property

Similar Compounds

Find more compounds similar to 2,4-D, propyl ester.

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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