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

InChI

InChI=1S/C9H9BrF2O/c1-2-13-5-7-8(11)3-6(10)4-9(7)12/h3-4H,2,5H2,1H3

InChI Key

BSJBEBZSGQTJQN-UHFFFAOYSA-N

Formula

C9H9BrF2O

SMILES

CCOCc1c(F)cc(Br)cc1F

Molecular Weight¹

251.07

• 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°	-371.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-525.08	kJ/mol	Joback Calculated Property
ΔfusH°	24.57	kJ/mol	Joback Calculated Property
ΔvapH°	47.10	kJ/mol	Joback Calculated Property
log10WS	-4.10		Crippen Calculated Property
logPoct/wat	3.264		Crippen Calculated Property
McVol	140.820	ml/mol	McGowan Calculated Property
Pc	2973.04	kPa	Joback Calculated Property
Inp	[1277.00; 1277.00]
Inp	1277.00		NIST
Inp	1277.00		NIST
Tboil	534.06	K	Joback Calculated Property
Tc	737.69	K	Joback Calculated Property
Tfus	338.38	K	Joback Calculated Property
Vc	0.547	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[293.23; 349.82]	J/mol×K	[534.06; 737.69]
Cp,gas	293.23	J/mol×K	534.06	Joback Calculated Property
Cp,gas	303.94	J/mol×K	568.00	Joback Calculated Property
Cp,gas	314.12	J/mol×K	601.94	Joback Calculated Property
Cp,gas	323.79	J/mol×K	635.87	Joback Calculated Property
Cp,gas	332.96	J/mol×K	669.81	Joback Calculated Property
Cp,gas	341.63	J/mol×K	703.75	Joback Calculated Property
Cp,gas	349.82	J/mol×K	737.69	Joback Calculated Property

Similar Compounds

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

Sources

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

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