Chemical Properties of Acetic acid, (2,4-dichlorophenoxy)-, 2-methylpropyl ester (CAS 1713-15-1)

InChI

InChI=1S/C12H14Cl2O3/c1-8(2)6-17-12(15)7-16-11-4-3-9(13)5-10(11)14/h3-5,8H,6-7H2,1-2H3

InChI Key

GPSGZZSRFJXXBA-UHFFFAOYSA-N

Formula

C12H14Cl2O3

SMILES

CC(C)COC(=O)COc1ccc(Cl)cc1Cl

Molecular Weight¹

277.14

CAS

1713-15-1

Other Names

• 2,4-D isobutyl ester
• Acetic acid, (2,4-dichlorophenoxy)-, isobutyl ester
• Isobutyl 2,4-dichlorophenoxyacetate
• Isobutyl 2,4-d
• 2,4-Dichlorophenoxyacetic acid isobutyl ester
• D (2,4-) isobutylester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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.
• 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

Property	Value	Unit	Source
ΔfG°	-221.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-491.20	kJ/mol	Joback Calculated Property
ΔfusH°	28.95	kJ/mol	Joback Calculated Property
ΔvapH°	65.85	kJ/mol	Joback Calculated Property
log10WS	-3.68		Crippen Calculated Property
logPoct/wat	3.571		Crippen Calculated Property
McVol	193.970	ml/mol	McGowan Calculated Property
Pc	2254.67	kPa	Joback Calculated Property
Inp	[1805.00; 1805.00]
Inp	1805.00		NIST
Inp	1805.00		NIST
Inp	1805.00		NIST
Tboil	683.73	K	Joback Calculated Property
Tc	900.59	K	Joback Calculated Property
Tfus	415.69	K	Joback Calculated Property
Vc	0.734	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[471.63; 536.86]	J/mol×K	[683.73; 900.59]
Cp,gas	471.63	J/mol×K	683.73	Joback Calculated Property
Cp,gas	484.56	J/mol×K	719.87	Joback Calculated Property
Cp,gas	496.67	J/mol×K	756.02	Joback Calculated Property
Cp,gas	507.95	J/mol×K	792.16	Joback Calculated Property
Cp,gas	518.41	J/mol×K	828.30	Joback Calculated Property
Cp,gas	528.05	J/mol×K	864.44	Joback Calculated Property
Cp,gas	536.86	J/mol×K	900.59	Joback Calculated Property
η	[0.0001154; 0.0009560]	Pa×s	[415.69; 683.73]
η	0.0009560	Pa×s	415.69	Joback Calculated Property
η	0.0005664	Pa×s	460.36	Joback Calculated Property
η	0.0003682	Pa×s	505.04	Joback Calculated Property
η	0.0002567	Pa×s	549.71	Joback Calculated Property
η	0.0001889	Pa×s	594.38	Joback Calculated Property
η	0.0001451	Pa×s	639.06	Joback Calculated Property
η	0.0001154	Pa×s	683.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, (2,4-dichlorophenoxy)-, 2-methylpropyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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