Chemical Properties of 2-Bromo-5-fluorobenzyl alcohol, chlorodifluoroacetate

InChI

InChI=1S/C9H5BrClF3O2/c10-7-2-1-6(12)3-5(7)4-16-8(15)9(11,13)14/h1-3H,4H2

InChI Key

MPJCPBPMLDNWMA-UHFFFAOYSA-N

Formula

C9H5BrClF3O2

SMILES

O=C(OCc1cc(F)ccc1Br)C(F)(F)Cl

Molecular Weight¹

317.49

• 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°	-695.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-846.79	kJ/mol	Joback Calculated Property
ΔfusH°	26.42	kJ/mol	Joback Calculated Property
ΔvapH°	55.46	kJ/mol	Joback Calculated Property
log10WS	-4.51		Crippen Calculated Property
logPoct/wat	3.463		Crippen Calculated Property
McVol	156.400	ml/mol	McGowan Calculated Property
Pc	3022.28	kPa	Joback Calculated Property
Inp	[1404.00; 1404.00]
Inp	1404.00		NIST
Inp	1404.00		NIST
Tboil	616.42	K	Joback Calculated Property
Tc	833.23	K	Joback Calculated Property
Tfus	408.72	K	Joback Calculated Property
Vc	0.610	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[340.64; 385.29]	J/mol×K	[616.42; 833.23]
Cp,gas	340.64	J/mol×K	616.42	Joback Calculated Property
Cp,gas	349.73	J/mol×K	652.55	Joback Calculated Property
Cp,gas	358.11	J/mol×K	688.69	Joback Calculated Property
Cp,gas	365.81	J/mol×K	724.82	Joback Calculated Property
Cp,gas	372.89	J/mol×K	760.96	Joback Calculated Property
Cp,gas	379.37	J/mol×K	797.09	Joback Calculated Property
Cp,gas	385.29	J/mol×K	833.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Bromo-5-fluorobenzyl alcohol, chlorodifluoroacetate.

Sources

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

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