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

InChI

InChI=1S/C12H15BrF2O/c1-2-3-4-5-16-8-10-11(14)6-9(13)7-12(10)15/h6-7H,2-5,8H2,1H3

InChI Key

YNUGRBGTACPWQE-UHFFFAOYSA-N

Formula

C12H15BrF2O

SMILES

CCCCCOCc1c(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°	-346.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-587.00	kJ/mol	Joback Calculated Property
ΔfusH°	32.34	kJ/mol	Joback Calculated Property
ΔvapH°	53.78	kJ/mol	Joback Calculated Property
log10WS	-5.36		Crippen Calculated Property
logPoct/wat	4.434		Crippen Calculated Property
McVol	183.090	ml/mol	McGowan Calculated Property
Pc	2220.80	kPa	Joback Calculated Property
Inp	[1566.00; 1566.00]
Inp	1566.00		NIST
Inp	1566.00		NIST
Tboil	602.70	K	Joback Calculated Property
Tc	797.96	K	Joback Calculated Property
Tfus	372.19	K	Joback Calculated Property
Vc	0.716	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[431.92; 502.11]	J/mol×K	[602.70; 797.96]
Cp,gas	431.92	J/mol×K	602.70	Joback Calculated Property
Cp,gas	445.22	J/mol×K	635.24	Joback Calculated Property
Cp,gas	457.87	J/mol×K	667.79	Joback Calculated Property
Cp,gas	469.86	J/mol×K	700.33	Joback Calculated Property
Cp,gas	481.23	J/mol×K	732.87	Joback Calculated Property
Cp,gas	491.97	J/mol×K	765.42	Joback Calculated Property
Cp,gas	502.11	J/mol×K	797.96	Joback Calculated Property

Similar Compounds

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

Sources

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

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