Chemical Properties of 1,6-Di-(4-bromophenoxy)hexane

InChI

InChI=1S/C18H20Br2O2/c19-15-5-9-17(10-6-15)21-13-3-1-2-4-14-22-18-11-7-16(20)8-12-18/h5-12H,1-4,13-14H2

InChI Key

RCTHJRFRURADHF-UHFFFAOYSA-N

Formula

C18H20Br2O2

SMILES

Brc1ccc(OCCCCCCOc2ccc(Br)cc2)cc1

Molecular Weight¹

428.16

Other Names

• benzene, 1,1'-[1,6-hexanediylbis(oxy)]bis-4-bromo-

• 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_vapH° : Enthalpy of vaporization 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).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[336.70; 759.98]	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			1.46960e+01
Coefficient B			1.38700e+00
Coefficient C			-8.04520e-04
Coefficient D			1.62800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	336.70	J/mol×K	273.00	Calculated Property
Cp,gas	411.90	J/mol×K	353.78	Calculated Property
Cp,gas	478.86	J/mol×K	434.56	Calculated Property
Cp,gas	538.09	J/mol×K	515.33	Calculated Property
Cp,gas	590.10	J/mol×K	596.11	Calculated Property
Cp,gas	635.42	J/mol×K	676.89	Calculated Property
Cp,gas	674.55	J/mol×K	757.67	Calculated Property
Cp,gas	708.01	J/mol×K	838.44	Calculated Property
Cp,gas	736.31	J/mol×K	919.22	Calculated Property
Cp,gas	759.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003542; 0.0000747]	Pa×s	[534.56; 762.42]	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			-1.31525e+01
Coefficient B			2.78338e+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.			534.56
Temperature range, max.			762.42
η	0.0003542	Pa×s	534.56	Calculated Property
η	0.0002799	Pa×s	559.88	Calculated Property
η	0.0002257	Pa×s	585.20	Calculated Property
η	0.0001853	Pa×s	610.51	Calculated Property
η	0.0001546	Pa×s	635.83	Calculated Property
η	0.0001307	Pa×s	661.15	Calculated Property
η	0.0001119	Pa×s	686.47	Calculated Property
η	0.0000969	Pa×s	711.78	Calculated Property
η	0.0000847	Pa×s	737.10	Calculated Property
η	0.0000747	Pa×s	762.42	Calculated Property

Similar Compounds

Find more compounds similar to 1,6-Di-(4-bromophenoxy)hexane.

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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