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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[522.62; 589.55]	J/mol×K	[707.05; 916.94]
Cp,gas	522.62	J/mol×K	707.05	Joback Calculated Property
Cp,gas	535.83	J/mol×K	742.03	Joback Calculated Property
Cp,gas	548.22	J/mol×K	777.01	Joback Calculated Property
Cp,gas	559.78	J/mol×K	812.00	Joback Calculated Property
Cp,gas	570.52	J/mol×K	846.98	Joback Calculated Property
Cp,gas	580.44	J/mol×K	881.96	Joback Calculated Property
Cp,gas	589.55	J/mol×K	916.94	Joback Calculated Property
η	[0.0001104; 0.0007759]	Pa×s	[441.96; 707.05]
η	0.0007759	Pa×s	441.96	Joback Calculated Property
η	0.0004836	Pa×s	486.14	Joback Calculated Property
η	0.0003262	Pa×s	530.32	Joback Calculated Property
η	0.0002337	Pa×s	574.50	Joback Calculated Property
η	0.0001756	Pa×s	618.69	Joback Calculated Property
η	0.0001371	Pa×s	662.87	Joback Calculated Property
η	0.0001104	Pa×s	707.05	Joback Calculated Property
ΔvapH	73.60	kJ/mol	508.50	NIST

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.