Chemical Properties of Butanoic acid, 4-(2,4,5-trichlorophenoxy)-

InChI

InChI=1S/C10H9Cl3O3/c11-6-4-8(13)9(5-7(6)12)16-3-1-2-10(14)15/h4-5H,1-3H2,(H,14,15)

InChI Key

RTWCZQFXFMXXKP-UHFFFAOYSA-N

Formula

C10H9Cl3O3

SMILES

O=C(O)CCCOc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

283.54

Other Names

• Butyric acid, 4-(2,4,5-trichlorophenoxy)-
• «gamma»-(2,4,5-Trichlorophenoxy)butyric acid
• 2,4,5-TB
• 4-(2,4,5-Trichlorophenoxy)Butyric acid
• 2,4,5-T Butyric acid
• 4-(2,4,5-Trichlorophenoxy)butanoic acid

• 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_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	38.45	kJ/mol	Joback Calculated Property
log10WS	-4.10		Relay (1.0) Calculated Property
logPoct/wat	3.890		Crippen Calculated Property
McVol	178.030	ml/mol	McGowan Calculated Property
Tboil	599.86	K	Relay (1.0) Calculated Property
Tfus	[386.80; 388.10]	K
Tfus	388.10 ± 0.20	K	NIST
Tfus	386.80 ± 0.20	K	NIST

Cheméo can also estimate 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	[237.26; 461.68]	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			7.15630e+01
Coefficient B			7.04400e-01
Coefficient C			-3.73080e-04
Coefficient D			5.88000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	237.26	J/mol×K	273.00	Calculated Property
Cp,gas	276.67	J/mol×K	353.78	Calculated Property
Cp,gas	312.04	J/mol×K	434.56	Calculated Property
Cp,gas	343.53	J/mol×K	515.33	Calculated Property
Cp,gas	371.35	J/mol×K	596.11	Calculated Property
Cp,gas	395.66	J/mol×K	676.89	Calculated Property
Cp,gas	416.67	J/mol×K	757.67	Calculated Property
Cp,gas	434.55	J/mol×K	838.44	Calculated Property
Cp,gas	449.49	J/mol×K	919.22	Calculated Property
Cp,gas	461.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031305; 0.0001818]	Pa×s	[387.45; 685.36]	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			-1.23137e+01
Coefficient B			2.53667e+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.			387.45
Temperature range, max.			685.36
η	0.0031305	Pa×s	387.45	Calculated Property
η	0.0018699	Pa×s	420.55	Calculated Property
η	0.0012042	Pa×s	453.65	Calculated Property
η	0.0008233	Pa×s	486.75	Calculated Property
η	0.0005908	Pa×s	519.85	Calculated Property
η	0.0004411	Pa×s	552.95	Calculated Property
η	0.0003404	Pa×s	586.05	Calculated Property
η	0.0002701	Pa×s	619.15	Calculated Property
η	0.0002194	Pa×s	652.25	Calculated Property
η	0.0001818	Pa×s	685.36	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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