Chemical Properties of 2-Bromo-5-fluorobenzyl alcohol, 1-methylpropyl ether

InChI

InChI=1S/C11H14BrFO/c1-3-8(2)14-7-9-6-10(13)4-5-11(9)12/h4-6,8H,3,7H2,1-2H3

InChI Key

XKZBHGNKGSSJFY-UHFFFAOYSA-N

Formula

C11H14BrFO

SMILES

CCC(C)OCc1cc(F)ccc1Br

Molecular Weight¹

261.13

• 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°	-153.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-364.06	kJ/mol	Joback Calculated Property
ΔfusH°	23.54	kJ/mol	Joback Calculated Property
ΔvapH°	51.32	kJ/mol	Joback Calculated Property
log10WS	-4.72		Crippen Calculated Property
logPoct/wat	3.903		Crippen Calculated Property
McVol	167.230	ml/mol	McGowan Calculated Property
Pc	2608.40	kPa	Joback Calculated Property
Inp	[1451.00; 1451.00]
Inp	1451.00		NIST
Inp	1451.00		NIST
Tboil	575.13	K	Joback Calculated Property
Tc	785.81	K	Joback Calculated Property
Tfus	332.81	K	Joback Calculated Property
Vc	0.635	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[376.65; 448.41]	J/mol×K	[575.13; 785.81]
Cp,gas	376.65	J/mol×K	575.13	Joback Calculated Property
Cp,gas	390.42	J/mol×K	610.24	Joback Calculated Property
Cp,gas	403.45	J/mol×K	645.36	Joback Calculated Property
Cp,gas	415.73	J/mol×K	680.47	Joback Calculated Property
Cp,gas	427.31	J/mol×K	715.58	Joback Calculated Property
Cp,gas	438.20	J/mol×K	750.70	Joback Calculated Property
Cp,gas	448.41	J/mol×K	785.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Bromo-5-fluorobenzyl alcohol, 1-methylpropyl ether.

Sources

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

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