Chemical Properties of Ethyl bromodifluoroacetate (CAS 667-27-6)

InChI

InChI=1S/C4H5BrF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3

InChI Key

IRSJDVYTJUCXRV-UHFFFAOYSA-N

Formula

C4H5BrF2O2

SMILES

CCOC(=O)C(F)(F)Br

Molecular Weight¹

202.98

CAS

667-27-6

Other Names

• Acetic acid, bromodifluoro-, ethyl ester

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[385.00; 385.20]	K	[93.30; 93.30]
Tboilr	385.00	K	93.30	NIST
Tboilr	385.20	K	93.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[135.60; 258.48]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.05610e+01
Coefficient B			5.16620e-01
Coefficient C			-3.75200e-04
Coefficient D			9.65000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	135.60	J/mol×K	273.00	Calculated Property
Cp,gas	160.64	J/mol×K	353.78	Calculated Property
Cp,gas	182.13	J/mol×K	434.56	Calculated Property
Cp,gas	200.36	J/mol×K	515.33	Calculated Property
Cp,gas	215.64	J/mol×K	596.11	Calculated Property
Cp,gas	228.27	J/mol×K	676.89	Calculated Property
Cp,gas	238.57	J/mol×K	757.67	Calculated Property
Cp,gas	246.84	J/mol×K	838.44	Calculated Property
Cp,gas	253.37	J/mol×K	919.22	Calculated Property
Cp,gas	258.48	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl bromodifluoroacetate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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