Chemical Properties of (2,4,5-Trichlorophenoxy)acetic acid, monobutylene glycol ester (CAS 40583-17-3)

InChI

InChI=1S/C12H13Cl3O4/c13-8-5-10(15)11(6-9(8)14)19-7-12(17)18-4-2-1-3-16/h5-6,16H,1-4,7H2

InChI Key

VXWTVROLUSKWJR-UHFFFAOYSA-N

Formula

C12H13Cl3O4

SMILES

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

Molecular Weight¹

327.59

CAS

40583-17-3

Other Names

• 4-hydroxybutyl (2,4,5-trichlorophenoxy)acetate

• 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).
• 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

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[294.90; 580.87]	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			9.58450e+01
Coefficient B			8.22800e-01
Coefficient C			-3.45080e-04
Coefficient D			7.30000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	294.90	J/mol×K	273.00	Calculated Property
Cp,gas	344.07	J/mol×K	353.78	Calculated Property
Cp,gas	388.83	J/mol×K	434.56	Calculated Property
Cp,gas	429.22	J/mol×K	515.33	Calculated Property
Cp,gas	465.25	J/mol×K	596.11	Calculated Property
Cp,gas	496.94	J/mol×K	676.89	Calculated Property
Cp,gas	524.33	J/mol×K	757.67	Calculated Property
Cp,gas	547.43	J/mol×K	838.44	Calculated Property
Cp,gas	566.27	J/mol×K	919.22	Calculated Property
Cp,gas	580.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003534; 0.0000357]	Pa×s	[504.12; 704.21]	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			-1.60122e+01
Coefficient B			4.06536e+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.			504.12
Temperature range, max.			704.21
η	0.0003534	Pa×s	504.12	Calculated Property
η	0.0002514	Pa×s	526.35	Calculated Property
η	0.0001838	Pa×s	548.59	Calculated Property
η	0.0001377	Pa×s	570.82	Calculated Property
η	0.0001055	Pa×s	593.05	Calculated Property
η	0.0000823	Pa×s	615.28	Calculated Property
η	0.0000654	Pa×s	637.52	Calculated Property
η	0.0000527	Pa×s	659.75	Calculated Property
η	0.0000431	Pa×s	681.98	Calculated Property
η	0.0000357	Pa×s	704.21	Calculated Property

Similar Compounds

Find more compounds similar to (2,4,5-Trichlorophenoxy)acetic acid, monobutylene glycol ester.

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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