Chemical Properties of 2,3,4,5,6-Pentabromobenzyl alcohol, n-propyl ether

InChI

InChI=1S/C10H9Br5O/c1-2-3-16-4-5-6(11)8(13)10(15)9(14)7(5)12/h2-4H2,1H3

InChI Key

BUKHQPTWTSHKBX-UHFFFAOYSA-N

Formula

C10H9Br5O

SMILES

CCCOCc1c(Br)c(Br)c(Br)c(Br)c1Br

Molecular Weight¹

544.70

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[258.45; 465.36]	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			9.78430e+01
Coefficient B			7.05220e-01
Coefficient C			-4.62200e-04
Coefficient D			1.24500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	258.45	J/mol×K	273.00	Calculated Property
Cp,gas	295.00	J/mol×K	353.78	Calculated Property
Cp,gas	327.24	J/mol×K	434.56	Calculated Property
Cp,gas	355.56	J/mol×K	515.33	Calculated Property
Cp,gas	380.36	J/mol×K	596.11	Calculated Property
Cp,gas	402.04	J/mol×K	676.89	Calculated Property
Cp,gas	420.99	J/mol×K	757.67	Calculated Property
Cp,gas	437.59	J/mol×K	838.44	Calculated Property
Cp,gas	452.25	J/mol×K	919.22	Calculated Property
Cp,gas	465.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002979; 0.0001265]	Pa×s	[612.71; 769.50]	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			-1.23218e+01
Coefficient B			2.57515e+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.			612.71
Temperature range, max.			769.50
η	0.0002979	Pa×s	612.71	Calculated Property
η	0.0002652	Pa×s	630.13	Calculated Property
η	0.0002376	Pa×s	647.55	Calculated Property
η	0.0002141	Pa×s	664.97	Calculated Property
η	0.0001939	Pa×s	682.39	Calculated Property
η	0.0001765	Pa×s	699.81	Calculated Property
η	0.0001614	Pa×s	717.23	Calculated Property
η	0.0001483	Pa×s	734.65	Calculated Property
η	0.0001367	Pa×s	752.07	Calculated Property
η	0.0001265	Pa×s	769.50	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4,5,6-Pentabromobenzyl alcohol, n-propyl ether.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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