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

InChI

InChI=1S/C10H11BrF2O/c1-6(2)14-5-8-9(12)3-7(11)4-10(8)13/h3-4,6H,5H2,1-2H3

InChI Key

NWZOZCZPIHKOKH-UHFFFAOYSA-N

Formula

C10H11BrF2O

SMILES

CC(C)OCc1c(F)cc(Br)cc1F

Molecular Weight¹

265.10

• ω : Acentric Factor.
• 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).
• 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

Property	Value	Unit	Source
ω	0.4859		Relay (... Calculated Property
ΔfG°	-365.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-474.41	kJ/mol	Relay (... Calculated Property
ΔfusH°	23.64	kJ/mol	Joback Calculated Property
ΔvapH°	62.18	kJ/mol	Relay (... Calculated Property
IE	8.75	eV	Relay (... Calculated Property
log10WS	-3.62		Relay (... Calculated Property
logPoct/wat	3.652		Crippen Calculated Property
McVol	154.910	ml/mol	McGowan Calculated Property
Pc	2707.03	kPa	Joback Calculated Property
Inp	[1319.00; 1319.00]
Inp	1319.00		NIST
Inp	1319.00		NIST
Tboil	499.90	K	Relay (... Calculated Property
Tc	703.62	K	Relay (... Calculated Property
Tfus	280.84	K	Relay (... Calculated Property
Vc	0.560	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[338.07; 401.15]	J/mol×K	[556.50; 761.39]
Cp,gas	338.07	J/mol×K	556.50	Joback Calculated Property
Cp,gas	350.06	J/mol×K	590.65	Joback Calculated Property
Cp,gas	361.45	J/mol×K	624.80	Joback Calculated Property
Cp,gas	372.24	J/mol×K	658.95	Joback Calculated Property
Cp,gas	382.44	J/mol×K	693.09	Joback Calculated Property
Cp,gas	392.07	J/mol×K	727.24	Joback Calculated Property
Cp,gas	401.15	J/mol×K	761.39	Joback Calculated Property

Similar Compounds

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

Sources

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

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