Chemical Properties of Acetic acid, (2,4,5-trichlorophenoxy)- (CAS 93-76-5)

InChI

InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)

InChI Key

SMYMJHWAQXWPDB-UHFFFAOYSA-N

Formula

C8H5Cl3O3

SMILES

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

Molecular Weight¹

255.48

CAS

93-76-5

Other Names

• (2,4,5-Trichloor-fenoxy)-azijnzuur
• (2,4,5-Trichlor-phenoxy)-essigsaeure
• (2,4,5-Trichlorophenoxy)acetic acid
• 2,4,5-T
• 2-(2,4,5-trichlorophenoxy)acetic acid
• Acetic acid, 2,4,5-trichlorophenoxy-
• Acide 2,4,5-trichloro phenoxyacetique
• Acido (2,4,5-tricloro-fenossi)-acetico
• Arbokan
• BCF-Bushkiller
• Brush rhap
• Brush-off 445 low volatile brush killer
• Brushtox
• Debroussaillant concentre
• Debroussaillant super concentre
• Decamine 4T
• Ded-weed brush killer
• Ded-weed lv-6 brush kil and t-5 brush kil
• Envert-T
• Estercide t-2 and t-245
• Farmco fence rider
• Fence rider
• Forron
• Forst U 46
• Fortex
• Fruitone A
• Inverton 245
• Kwas 2,4,5-trojchlorofenoksyoctowy
• Line rider
• NA 2765
• Phortox
• Rcra waste number U232
• Reddon
• Reddox
• Spontox
• Super D weedone
• Tippon
• Tippontormona
• Trioxon
• VEON
• Veon 245
• Verton 2-T
• Visko rhap low volatile 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_fusH : Enthalpy of fusion 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	33.27	kJ/mol	Joback Calculated Property
log10WS	-2.96		Aq. Solubility Prediction
logPoct/wat	3.110		Crippen Calculated Property
McVol	149.850	ml/mol	McGowan Calculated Property
Tfus	[426.00; 429.51]	K
Tfus	426.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	429.51 ± 0.20	K	NIST
Tfus	428.00 ± 0.20	K	NIST
Tfus	428.40 ± 0.20	K	NIST
Tfus	426.00 ± 2.00	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[194.83; 358.50]	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			7.33810e+01
Coefficient B			5.14400e-01
Coefficient C			-2.64280e-04
Coefficient D			3.50000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	194.83	J/mol×K	273.00	Calculated Property
Cp,gas	223.84	J/mol×K	353.78	Calculated Property
Cp,gas	249.88	J/mol×K	434.56	Calculated Property
Cp,gas	273.07	J/mol×K	515.33	Calculated Property
Cp,gas	293.52	J/mol×K	596.11	Calculated Property
Cp,gas	311.34	J/mol×K	676.89	Calculated Property
Cp,gas	326.64	J/mol×K	757.67	Calculated Property
Cp,gas	339.52	J/mol×K	838.44	Calculated Property
Cp,gas	350.11	J/mol×K	919.22	Calculated Property
Cp,gas	358.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014618; 0.0002121]	Pa×s	[427.61; 659.41]	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			-1.20198e+01
Coefficient B			2.34835e+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.			427.61
Temperature range, max.			659.41
η	0.0014618	Pa×s	427.61	Calculated Property
η	0.0010701	Pa×s	453.37	Calculated Property
η	0.0008100	Pa×s	479.12	Calculated Property
η	0.0006308	Pa×s	504.88	Calculated Property
η	0.0005033	Pa×s	530.63	Calculated Property
η	0.0004101	Pa×s	556.39	Calculated Property
η	0.0003402	Pa×s	582.14	Calculated Property
η	0.0002868	Pa×s	607.90	Calculated Property
η	0.0002451	Pa×s	633.65	Calculated Property
η	0.0002121	Pa×s	659.41	Calculated Property

Similar Compounds

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

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, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction 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.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.