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

InChI

InChI=1S/C11H13BrF2O/c1-7(2)5-15-6-9-10(13)3-8(12)4-11(9)14/h3-4,7H,5-6H2,1-2H3

InChI Key

JBTTZCFMGGHNGT-UHFFFAOYSA-N

Formula

C11H13BrF2O

SMILES

CC(C)COCc1c(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°	-357.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-571.64	kJ/mol	Joback Calculated Property
ΔfusH°	26.23	kJ/mol	Joback Calculated Property
ΔvapH°	51.17	kJ/mol	Joback Calculated Property
log10WS	-4.70		Crippen Calculated Property
logPoct/wat	3.900		Crippen Calculated Property
McVol	169.000	ml/mol	McGowan Calculated Property
Pc	2455.60	kPa	Joback Calculated Property
Inp	[1413.00; 1413.00]
Inp	1413.00		NIST
Inp	1413.00		NIST
Tboil	579.38	K	Joback Calculated Property
Tc	781.24	K	Joback Calculated Property
Tfus	345.92	K	Joback Calculated Property
Vc	0.653	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[384.36; 451.94]	J/mol×K	[579.38; 781.24]
Cp,gas	384.36	J/mol×K	579.38	Joback Calculated Property
Cp,gas	397.21	J/mol×K	613.02	Joback Calculated Property
Cp,gas	409.42	J/mol×K	646.67	Joback Calculated Property
Cp,gas	420.98	J/mol×K	680.31	Joback Calculated Property
Cp,gas	431.91	J/mol×K	713.95	Joback Calculated Property
Cp,gas	442.23	J/mol×K	747.59	Joback Calculated Property
Cp,gas	451.94	J/mol×K	781.24	Joback Calculated Property

Similar Compounds

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

Sources

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

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