Chemical Properties of Acetic acid, bromo- (CAS 79-08-3)

InChI

InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)

InChI Key

KDPAWGWELVVRCH-UHFFFAOYSA-N

Formula

C2H3BrO2

SMILES

O=C(O)CBr

Molecular Weight¹

138.95

CAS

79-08-3

Other Names

• 2-Bromoacetic acid
• ALPHA-BROMOACETIC ACID
• Acetic acid, 2-bromo-
• Acide bromacetique
• BROMOACETIC ACID
• Bromoethanoic acid
• CH2BrCOOH
• Kyselina bromoctova
• MONOBROMOACETIC ACID
• Monobromessigsaeure
• NSC 141
• To NTU
• UN 1938
• «alpha»-Bromoacetic acid
• «alpha»-Bromoethanoic acid
• «alpha»-Bromoacetic acid
• «alpha»-Bromoethanoic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• 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°	-285.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-323.09	kJ/mol	Joback Calculated Property
ΔfusH°	11.91	kJ/mol	Joback Calculated Property
ΔsubH°	83.50 ± 3.00	kJ/mol	NIST
ΔvapH°	49.91	kJ/mol	Joback Calculated Property
IE	[10.40; 11.00]	eV
IE	10.40	eV	NIST
IE	11.00	eV	NIST
log10WS	-0.19		Crippen Calculated Property
logPoct/wat	0.466		Crippen Calculated Property
McVol	63.980	ml/mol	McGowan Calculated Property
Pc	7109.36	kPa	Joback Calculated Property
Tboil	[479.20; 481.20]	K
Tboil	479.20	K	NIST
Tboil	481.20	K	NIST
Tboil	481.00	K	NIST
Tc	651.13	K	Joback Calculated Property
Tfus	323.00	K	NIST
Vc	0.234	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[100.14; 118.71]	J/mol×K	[457.37; 651.13]
Cp,gas	100.14	J/mol×K	457.37	Joback Calculated Property
Cp,gas	103.72	J/mol×K	489.66	Joback Calculated Property
Cp,gas	107.09	J/mol×K	521.96	Joback Calculated Property
Cp,gas	110.26	J/mol×K	554.25	Joback Calculated Property
Cp,gas	113.25	J/mol×K	586.54	Joback Calculated Property
Cp,gas	116.07	J/mol×K	618.84	Joback Calculated Property
Cp,gas	118.71	J/mol×K	651.13	Joback Calculated Property
η	[0.0003705; 0.0151185]	Pa×s	[282.85; 457.37]
η	0.0151185	Pa×s	282.85	Joback Calculated Property
η	0.0061078	Pa×s	311.94	Joback Calculated Property
η	0.0028801	Pa×s	341.02	Joback Calculated Property
η	0.0015284	Pa×s	370.11	Joback Calculated Property
η	0.0008896	Pa×s	399.20	Joback Calculated Property
η	0.0005572	Pa×s	428.28	Joback Calculated Property
η	0.0003705	Pa×s	457.37	Joback Calculated Property
ΔfusH	13.90	kJ/mol	319.20	NIST
ΔvapH	57.20	kJ/mol	404.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 101.19]	kPa	[327.15; 481.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			4.66739e+01
Coefficient B			-8.12419e+03
Coefficient C			-4.16026e+00
Coefficient D			2.25727e-06
Temperature range, min.			327.15
Temperature range, max.			481.15
Pvap	0.13	kPa	327.15	Calculated Property
Pvap	0.38	kPa	344.26	Calculated Property
Pvap	0.98	kPa	361.37	Calculated Property
Pvap	2.31	kPa	378.48	Calculated Property
Pvap	5.01	kPa	395.59	Calculated Property
Pvap	10.15	kPa	412.71	Calculated Property
Pvap	19.38	kPa	429.82	Calculated Property
Pvap	35.14	kPa	446.93	Calculated Property
Pvap	60.86	kPa	464.04	Calculated Property
Pvap	101.19	kPa	481.15	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, bromo-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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