Chemical Properties of 4-Bromo-2,6-difluorobenzyl alcohol, 3-methylbutyl ether

InChI

InChI=1S/C12H15BrF2O/c1-8(2)3-4-16-7-10-11(14)5-9(13)6-12(10)15/h5-6,8H,3-4,7H2,1-2H3

InChI Key

CLROFRBWOACKRB-UHFFFAOYSA-N

Formula

C12H15BrF2O

SMILES

CC(C)CCOCc1c(F)cc(Br)cc1F

Molecular Weight¹

293.15

• 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°	-349.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-592.28	kJ/mol	Joback Calculated Property
ΔfusH°	28.82	kJ/mol	Joback Calculated Property
ΔvapH°	53.39	kJ/mol	Joback Calculated Property
log10WS	-5.12		Crippen Calculated Property
logPoct/wat	4.290		Crippen Calculated Property
McVol	183.090	ml/mol	McGowan Calculated Property
Pc	2237.64	kPa	Joback Calculated Property
Inp	[1525.00; 1525.00]
Inp	1525.00		NIST
Inp	1525.00		NIST
Tboil	602.26	K	Joback Calculated Property
Tc	801.27	K	Joback Calculated Property
Tfus	357.19	K	Joback Calculated Property
Vc	0.710	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[432.35; 503.86]	J/mol×K	[602.26; 801.27]
Cp,gas	432.35	J/mol×K	602.26	Joback Calculated Property
Cp,gas	445.96	J/mol×K	635.43	Joback Calculated Property
Cp,gas	458.87	J/mol×K	668.60	Joback Calculated Property
Cp,gas	471.10	J/mol×K	701.77	Joback Calculated Property
Cp,gas	482.67	J/mol×K	734.94	Joback Calculated Property
Cp,gas	493.58	J/mol×K	768.10	Joback Calculated Property
Cp,gas	503.86	J/mol×K	801.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Bromo-2,6-difluorobenzyl alcohol, 3-methylbutyl ether.

Sources

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

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