Chemical Properties of 4-Chlorobutyl o-tolyl ether

InChI

InChI=1S/C11H15ClO/c1-10-6-2-3-7-11(10)13-9-5-4-8-12/h2-3,6-7H,4-5,8-9H2,1H3

InChI Key

GADHSOUSWKQCEU-UHFFFAOYSA-N

Formula

C11H15ClO

SMILES

Cc1ccccc1OCCCCCl

Molecular Weight¹

198.69

Other Names

• 1-(4-chlorobutoxy)-2-methylbenzene

• 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).
• IE : Ionization energy (eV).
• 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_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 Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[212.94; 492.03]	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			1.16740e+01
Coefficient B			8.54020e-01
Coefficient C			-4.48160e-04
Coefficient D			7.45000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	212.94	J/mol×K	273.00	Calculated Property
Cp,gas	261.01	J/mol×K	353.78	Calculated Property
Cp,gas	304.28	J/mol×K	434.56	Calculated Property
Cp,gas	342.96	J/mol×K	515.33	Calculated Property
Cp,gas	377.29	J/mol×K	596.11	Calculated Property
Cp,gas	407.52	J/mol×K	676.89	Calculated Property
Cp,gas	433.87	J/mol×K	757.67	Calculated Property
Cp,gas	456.58	J/mol×K	838.44	Calculated Property
Cp,gas	475.89	J/mol×K	919.22	Calculated Property
Cp,gas	492.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018569; 0.0001999]	Pa×s	[304.82; 524.56]	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			-1.16092e+01
Coefficient B			1.62177e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			304.82
Temperature range, max.			524.56
η	0.0018569	Pa×s	304.82	Calculated Property
η	0.0012516	Pa×s	329.24	Calculated Property
η	0.0008908	Pa×s	353.65	Calculated Property
η	0.0006624	Pa×s	378.07	Calculated Property
η	0.0005107	Pa×s	402.48	Calculated Property
η	0.0004056	Pa×s	426.90	Calculated Property
η	0.0003302	Pa×s	451.31	Calculated Property
η	0.0002746	Pa×s	475.73	Calculated Property
η	0.0002325	Pa×s	500.14	Calculated Property
η	0.0001999	Pa×s	524.56	Calculated Property

Similar Compounds

Find more compounds similar to 4-Chlorobutyl o-tolyl 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

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