Chemical Properties of 2-Bromo-5-fluorobenzyl alcohol, n-butyl ether

InChI

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

InChI Key

DHULEFKNXCFIAJ-UHFFFAOYSA-N

Formula

C11H14BrFO

SMILES

CCCCOCc1cc(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°	-150.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-358.78	kJ/mol	Joback Calculated Property
ΔfusH°	27.06	kJ/mol	Joback Calculated Property
ΔvapH°	51.71	kJ/mol	Joback Calculated Property
log10WS	-4.61		Crippen Calculated Property
logPoct/wat	3.905		Crippen Calculated Property
McVol	167.230	ml/mol	McGowan Calculated Property
Pc	2587.22	kPa	Joback Calculated Property
Inp	[1507.00; 1507.00]
Inp	1507.00		NIST
Inp	1507.00		NIST
Tboil	575.57	K	Joback Calculated Property
Tc	781.93	K	Joback Calculated Property
Tfus	347.81	K	Joback Calculated Property
Vc	0.641	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[376.26; 446.56]	J/mol×K	[575.57; 781.93]
Cp,gas	376.26	J/mol×K	575.57	Joback Calculated Property
Cp,gas	389.69	J/mol×K	609.96	Joback Calculated Property
Cp,gas	402.41	J/mol×K	644.36	Joback Calculated Property
Cp,gas	414.44	J/mol×K	678.75	Joback Calculated Property
Cp,gas	425.80	J/mol×K	713.14	Joback Calculated Property
Cp,gas	436.50	J/mol×K	747.53	Joback Calculated Property
Cp,gas	446.56	J/mol×K	781.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Bromo-5-fluorobenzyl alcohol, n-butyl ether.

Sources

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

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