Chemical Properties of 4-Bromo-2,6-difluorobenzyl alcohol, n-butyl ether

InChI

InChI=1S/C11H13BrF2O/c1-2-3-4-15-7-9-10(13)5-8(12)6-11(9)14/h5-6H,2-4,7H2,1H3

InChI Key

YUDUSRDVJBNDJT-UHFFFAOYSA-N

Formula

C11H13BrF2O

SMILES

CCCCOCc1c(F)cc(Br)cc1F

Molecular Weight¹

279.12

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	-355.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-566.36	kJ/mol	Joback Calculated Property
ΔfusH°	29.75	kJ/mol	Joback Calculated Property
ΔvapH°	51.55	kJ/mol	Joback Calculated Property
log10WS	-4.94		Crippen Calculated Property
logPoct/wat	4.044		Crippen Calculated Property
McVol	169.000	ml/mol	McGowan Calculated Property
Pc	2436.25	kPa	Joback Calculated Property
Inp	[1466.00; 1466.00]
Inp	1466.00		NIST
Inp	1466.00		NIST
Tboil	579.82	K	Joback Calculated Property
Tc	777.69	K	Joback Calculated Property
Tfus	360.92	K	Joback Calculated Property
Vc	0.659	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[383.95; 450.20]	J/mol×K	[579.82; 777.69]
Cp,gas	383.95	J/mol×K	579.82	Joback Calculated Property
Cp,gas	396.50	J/mol×K	612.80	Joback Calculated Property
Cp,gas	408.43	J/mol×K	645.78	Joback Calculated Property
Cp,gas	419.75	J/mol×K	678.75	Joback Calculated Property
Cp,gas	430.48	J/mol×K	711.73	Joback Calculated Property
Cp,gas	440.62	J/mol×K	744.71	Joback Calculated Property
Cp,gas	450.20	J/mol×K	777.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Bromo-2,6-difluorobenzyl alcohol, n-butyl ether.

Sources

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

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