Chemical Properties of 2,4,6-Trichlorophenol, n-butyl ether

InChI

InChI=1S/C10H11Cl3O/c1-2-3-4-14-10-8(12)5-7(11)6-9(10)13/h5-6H,2-4H2,1H3

InChI Key

UMHZLWGUGIPASA-UHFFFAOYSA-N

Formula

C10H11Cl3O

SMILES

CCCCOc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

253.55

Other Names

• Butyl 2,4,6-trichlorophenyl ether

• 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	28.31	kJ/mol	Joback Calculated Property
log10WS	-5.24		Relay (1.0) Calculated Property
logPoct/wat	4.826		Crippen Calculated Property
McVol	170.590	ml/mol	McGowan Calculated Property
Inp	[1608.00; 1608.00]
Inp	1608.00		NIST
Inp	1608.00		NIST
Tfus	285.97	K	Relay (1.0) Calculated Property

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	[223.63; 450.90]	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			6.69630e+01
Coefficient B			6.53620e-01
Coefficient C			-3.00480e-04
Coefficient D			3.08000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	223.63	J/mol×K	273.00	Calculated Property
Cp,gas	261.96	J/mol×K	353.78	Calculated Property
Cp,gas	296.78	J/mol×K	434.56	Calculated Property
Cp,gas	328.21	J/mol×K	515.33	Calculated Property
Cp,gas	356.34	J/mol×K	596.11	Calculated Property
Cp,gas	381.27	J/mol×K	676.89	Calculated Property
Cp,gas	403.09	J/mol×K	757.67	Calculated Property
Cp,gas	421.91	J/mol×K	838.44	Calculated Property
Cp,gas	437.81	J/mol×K	919.22	Calculated Property
Cp,gas	450.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010126; 0.0002022]	Pa×s	[378.43; 577.64]	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			-1.15664e+01
Coefficient B			1.76773e+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.			378.43
Temperature range, max.			577.64
η	0.0010126	Pa×s	378.43	Calculated Property
η	0.0007823	Pa×s	400.56	Calculated Property
η	0.0006209	Pa×s	422.70	Calculated Property
η	0.0005042	Pa×s	444.83	Calculated Property
η	0.0004176	Pa×s	466.97	Calculated Property
η	0.0003519	Pa×s	489.10	Calculated Property
η	0.0003009	Pa×s	511.24	Calculated Property
η	0.0002607	Pa×s	533.37	Calculated Property
η	0.0002284	Pa×s	555.51	Calculated Property
η	0.0002022	Pa×s	577.64	Calculated Property

Similar Compounds

Find more compounds similar to 2,4,6-Trichlorophenol, n-butyl ether.

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

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.
These property values are available through the Cheméo API. A free account gives you an access key.