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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[282.40; 562.19]	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			9.05540e+01
Coefficient B			7.88820e-01
Coefficient C			-3.14680e-04
Coefficient D			-2.50000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	282.40	J/mol×K	273.00	Calculated Property
Cp,gas	330.13	J/mol×K	353.78	Calculated Property
Cp,gas	373.71	J/mol×K	434.56	Calculated Property
Cp,gas	413.15	J/mol×K	515.33	Calculated Property
Cp,gas	448.43	J/mol×K	596.11	Calculated Property
Cp,gas	479.54	J/mol×K	676.89	Calculated Property
Cp,gas	506.48	J/mol×K	757.67	Calculated Property
Cp,gas	529.25	J/mol×K	838.44	Calculated Property
Cp,gas	547.82	J/mol×K	919.22	Calculated Property
Cp,gas	562.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0086617; 0.0001367]	Pa×s	[301.65; 646.66]	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			-1.25253e+01
Coefficient B			2.34577e+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.			301.65
Temperature range, max.			646.66
η	0.0086617	Pa×s	301.65	Calculated Property
η	0.0036041	Pa×s	339.98	Calculated Property
η	0.0017913	Pa×s	378.32	Calculated Property
η	0.0010125	Pa×s	416.65	Calculated Property
η	0.0006301	Pa×s	454.99	Calculated Property
η	0.0004221	Pa×s	493.32	Calculated Property
η	0.0002996	Pa×s	531.66	Calculated Property
η	0.0002227	Pa×s	569.99	Calculated Property
η	0.0001718	Pa×s	608.33	Calculated Property
η	0.0001367	Pa×s	646.66	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.78; 202.65]	kPa	[460.00; 647.91]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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