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

InChI

InChI=1S/C11H11Br5O/c1-2-3-4-17-5-6-7(12)9(14)11(16)10(15)8(6)13/h2-5H2,1H3

InChI Key

NPJCPTABFRGOHJ-UHFFFAOYSA-N

Formula

C11H11Br5O

SMILES

CCCCOCc1c(Br)c(Br)c(Br)c(Br)c1Br

Molecular Weight¹

558.72

• 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).
• 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

Property	Value	Unit	Source
ΔfG°	72.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-91.76	kJ/mol	Joback Calculated Property
ΔfusH°	43.95	kJ/mol	Joback Calculated Property
ΔvapH°	80.25	kJ/mol	Joback Calculated Property
log10WS	-8.93		Crippen Calculated Property
logPoct/wat	6.816		Crippen Calculated Property
McVol	235.460	ml/mol	McGowan Calculated Property
Pc	3501.28	kPa	Joback Calculated Property
Inp	[2717.00; 2717.00]
Inp	2717.00		NIST
Inp	2717.00		NIST
Tboil	855.88	K	Joback Calculated Property
Tc	1116.22	K	Joback Calculated Property
Tfus	623.98	K	Joback Calculated Property
Vc	0.872	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[488.92; 536.20]	J/mol×K	[855.88; 1116.22]
Cp,gas	488.92	J/mol×K	855.88	Joback Calculated Property
Cp,gas	497.97	J/mol×K	899.27	Joback Calculated Property
Cp,gas	506.47	J/mol×K	942.66	Joback Calculated Property
Cp,gas	514.47	J/mol×K	986.05	Joback Calculated Property
Cp,gas	522.05	J/mol×K	1029.44	Joback Calculated Property
Cp,gas	529.27	J/mol×K	1072.83	Joback Calculated Property
Cp,gas	536.20	J/mol×K	1116.22	Joback Calculated Property
η	[0.0000847; 0.0002699]	Pa×s	[623.98; 855.88]
η	0.0002699	Pa×s	623.98	Joback Calculated Property
η	0.0002103	Pa×s	662.63	Joback Calculated Property
η	0.0001684	Pa×s	701.28	Joback Calculated Property
η	0.0001381	Pa×s	739.93	Joback Calculated Property
η	0.0001154	Pa×s	778.58	Joback Calculated Property
η	0.0000981	Pa×s	817.23	Joback Calculated Property
η	0.0000847	Pa×s	855.88	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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