Chemical Properties of Amyl-2,4-dibromophenyl ether

InChI

InChI=1S/C11H14Br2O/c1-2-3-4-7-14-11-6-5-9(12)8-10(11)13/h5-6,8H,2-4,7H2,1H3

InChI Key

BWTNJRCDYGLTRF-UHFFFAOYSA-N

Formula

C11H14Br2O

SMILES

CCCCCOc1ccc(Br)cc1Br

Molecular Weight¹

322.04

• 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).
• 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, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[230.06; 498.86]	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			2.94640e+01
Coefficient B			8.64120e-01
Coefficient C			-5.03520e-04
Coefficient D			1.08800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	230.06	J/mol×K	273.00	Calculated Property
Cp,gas	276.97	J/mol×K	353.78	Calculated Property
Cp,gas	318.82	J/mol×K	434.56	Calculated Property
Cp,gas	355.94	J/mol×K	515.33	Calculated Property
Cp,gas	388.70	J/mol×K	596.11	Calculated Property
Cp,gas	417.42	J/mol×K	676.89	Calculated Property
Cp,gas	442.45	J/mol×K	757.67	Calculated Property
Cp,gas	464.14	J/mol×K	838.44	Calculated Property
Cp,gas	482.83	J/mol×K	919.22	Calculated Property
Cp,gas	498.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009709; 0.0001940]	Pa×s	[407.02; 610.12]	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			-1.17743e+01
Coefficient B			1.96875e+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.			407.02
Temperature range, max.			610.12
η	0.0009709	Pa×s	407.02	Calculated Property
η	0.0007530	Pa×s	429.59	Calculated Property
η	0.0005991	Pa×s	452.15	Calculated Property
η	0.0004871	Pa×s	474.72	Calculated Property
η	0.0004035	Pa×s	497.28	Calculated Property
η	0.0003398	Pa×s	519.85	Calculated Property
η	0.0002903	Pa×s	542.42	Calculated Property
η	0.0002511	Pa×s	564.98	Calculated Property
η	0.0002196	Pa×s	587.55	Calculated Property
η	0.0001940	Pa×s	610.12	Calculated Property

Similar Compounds

Find more compounds similar to Amyl-2,4-dibromophenyl 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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