Chemical Properties of 2,4-D Pentyl ester

InChI

InChI=1S/C13H16Cl2O3/c1-2-3-4-7-17-13(16)9-18-12-6-5-10(14)8-11(12)15/h5-6,8H,2-4,7,9H2,1H3

InChI Key

VZCCHPAEDSPPDG-UHFFFAOYSA-N

Formula

C13H16Cl2O3

SMILES

CCCCCOC(=O)COc1ccc(Cl)cc1Cl

Molecular Weight¹

291.17

Other Names

• pentyl (2,4-dichlorophenoxy)acetate
• Acetic acid, 2-(2,4-dichlorophenoxy)-, pentyl 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 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).
• P_c : Critical Pressure (kPa).
• 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 Volume, Enthalpy of formation 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	[287.66; 608.56]	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			6.24550e+01
Coefficient B			9.36520e-01
Coefficient C			-4.15720e-04
Coefficient D			2.53000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	287.66	J/mol×K	273.00	Calculated Property
Cp,gas	342.86	J/mol×K	353.78	Calculated Property
Cp,gas	393.00	J/mol×K	434.56	Calculated Property
Cp,gas	438.14	J/mol×K	515.33	Calculated Property
Cp,gas	478.36	J/mol×K	596.11	Calculated Property
Cp,gas	513.75	J/mol×K	676.89	Calculated Property
Cp,gas	544.38	J/mol×K	757.67	Calculated Property
Cp,gas	570.34	J/mol×K	838.44	Calculated Property
Cp,gas	591.71	J/mol×K	919.22	Calculated Property
Cp,gas	608.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009462; 0.0001367]	Pa×s	[412.13; 628.01]	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			-1.25921e+01
Coefficient B			2.31987e+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.			412.13
Temperature range, max.			628.01
η	0.0009462	Pa×s	412.13	Calculated Property
η	0.0006942	Pa×s	436.12	Calculated Property
η	0.0005261	Pa×s	460.10	Calculated Property
η	0.0004098	Pa×s	484.09	Calculated Property
η	0.0003268	Pa×s	508.08	Calculated Property
η	0.0002660	Pa×s	532.06	Calculated Property
η	0.0002204	Pa×s	556.05	Calculated Property
η	0.0001855	Pa×s	580.03	Calculated Property
η	0.0001582	Pa×s	604.02	Calculated Property
η	0.0001367	Pa×s	628.01	Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.