Chemical Properties of Acetic acid, (2,4,5-trichlorophenoxy)-, butyl ester (CAS 93-79-8)

InChI

InChI=1S/C12H13Cl3O3/c1-2-3-4-17-12(16)7-18-11-6-9(14)8(13)5-10(11)15/h5-6H,2-4,7H2,1H3

InChI Key

FNEXNZUHBCBQTI-UHFFFAOYSA-N

Formula

C12H13Cl3O3

SMILES

CCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

311.59

CAS

93-79-8

Other Names

• (2,4,5-Trichlorophenoxy)acetic acid butyl ester
• 2,4,5-T Butyl ester
• 2,4,5-T n-Butyl ester
• Arboricid
• Butyl (2,4,5-trichlorophenoxy)acetate
• Butyl 2,4,5-T
• Butylate 2,4,5-T
• Flomore
• Kilex 3
• Krzewotoks
• Krzewotox
• NSC 190448
• Tormona
• Trioxone
• U 46KW
• n-Butyl (2,4,5-trichlorophenoxy)acetate
• n-Butylester kyselini 2,4,5-trichlorfenoxyoctove

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[490.65; 548.75]	J/mol×K	[708.71; 923.80]
Cp,gas	490.65	J/mol×K	708.71	Joback Calculated Property
Cp,gas	502.40	J/mol×K	744.56	Joback Calculated Property
Cp,gas	513.32	J/mol×K	780.41	Joback Calculated Property
Cp,gas	523.41	J/mol×K	816.26	Joback Calculated Property
Cp,gas	532.68	J/mol×K	852.10	Joback Calculated Property
Cp,gas	541.13	J/mol×K	887.95	Joback Calculated Property
Cp,gas	548.75	J/mol×K	923.80	Joback Calculated Property
η	[0.0000995; 0.0007218]	Pa×s	[443.30; 708.71]
η	0.0007218	Pa×s	443.30	Joback Calculated Property
η	0.0004466	Pa×s	487.54	Joback Calculated Property
η	0.0002993	Pa×s	531.77	Joback Calculated Property
η	0.0002133	Pa×s	576.00	Joback Calculated Property
η	0.0001595	Pa×s	620.24	Joback Calculated Property
η	0.0001240	Pa×s	664.48	Joback Calculated Property
η	0.0000995	Pa×s	708.71	Joback Calculated Property
ΔvapH	87.30	kJ/mol	516.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.78; 202.65]	kPa	[460.00; 647.91]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.25662e+01
Coefficient B			-3.14123e+03
Coefficient C			-2.14920e+02
Temperature range, min.			460.00
Temperature range, max.			647.91
Pvap	0.78	kPa	460.00	Calculated Property
Pvap	2.13	kPa	480.88	Calculated Property
Pvap	5.03	kPa	501.76	Calculated Property
Pvap	10.57	kPa	522.64	Calculated Property
Pvap	20.22	kPa	543.52	Calculated Property
Pvap	35.79	kPa	564.39	Calculated Property
Pvap	59.41	kPa	585.27	Calculated Property
Pvap	93.42	kPa	606.15	Calculated Property
Pvap	140.32	kPa	627.03	Calculated Property
Pvap	202.65	kPa	647.91	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, (2,4,5-trichlorophenoxy)-, butyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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