Chemical Properties of Ethanol, 2-bromo- (CAS 540-51-2)

InChI

InChI=1S/C2H5BrO/c3-1-2-4/h4H,1-2H2

InChI Key

LDLCZOVUSADOIV-UHFFFAOYSA-N

Formula

C2H5BrO

SMILES

OCCBr

Molecular Weight¹

124.96

CAS

540-51-2

Other Names

• 1-Bromo-2-ethanol
• 2-Bromoethanol
• 2-Hydroxyethyl bromide
• CH2BrCH2OH(trans)
• Ethylene bromohydrin
• Glycol bromohydrin

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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_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).
• I_p : Polar retention indices.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6098		Relay (1.0) Calculated Property
PAff	766.10	kJ/mol	NIST
BasG	735.70	kJ/mol	NIST
ΔfG°	-156.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-220.75 ± 0.54	kJ/mol	Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value
ΔfusH°	10.31	kJ/mol	Joback Calculated Property
ΔvapH°	54.10 ± 0.40	kJ/mol	NIST
IE	[10.00; 10.75]	eV
IE	Outlier 10.00	eV	NIST
IE	10.62	eV	NIST
IE	10.63	eV	NIST
IE	10.63	eV	NIST
IE	10.62	eV	NIST
IE	10.57	eV	NIST
IE	10.65	eV	NIST
IE	10.75	eV	NIST
log10WS	0.59		Relay (1.0) Calculated Property
logPoct/wat	0.374		Crippen Calculated Property
McVol	62.410	ml/mol	McGowan Calculated Property
Pc	6410.25	kPa	Joback Calculated Property
Ip	[1492.00; 1492.00]
Ip	1492.00		NIST
Ip	1492.00		NIST
Tboil	423.40 ± 0.70	K	NIST
Tc	681.43	K	Relay (1.0) Calculated Property
Tfus	193.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[74.40; 150.25]	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			1.45520e+01
Coefficient B			2.66000e-01
Coefficient C			-1.86800e-04
Coefficient D			5.65000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	74.40	J/mol×K	273.00	Calculated Property
Cp,gas	87.78	J/mol×K	353.78	Calculated Property
Cp,gas	99.51	J/mol×K	434.56	Calculated Property
Cp,gas	109.75	J/mol×K	515.33	Calculated Property
Cp,gas	118.71	J/mol×K	596.11	Calculated Property
Cp,gas	126.54	J/mol×K	676.89	Calculated Property
Cp,gas	133.43	J/mol×K	757.67	Calculated Property
Cp,gas	139.56	J/mol×K	838.44	Calculated Property
Cp,gas	145.11	J/mol×K	919.22	Calculated Property
Cp,gas	150.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.4035508; 0.0004253]	Pa×s	[193.15; 410.06]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.38670e+01
Coefficient B			2.50313e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			193.15
Temperature range, max.			410.06
η	0.4035508	Pa×s	193.15	Calculated Property
η	0.0958339	Pa×s	217.25	Calculated Property
η	0.0303277	Pa×s	241.35	Calculated Property
η	0.0118275	Pa×s	265.45	Calculated Property
η	0.0053954	Pa×s	289.55	Calculated Property
η	0.0027768	Pa×s	313.66	Calculated Property
η	0.0015712	Pa×s	337.76	Calculated Property
η	0.0009591	Pa×s	361.86	Calculated Property
η	0.0006227	Pa×s	385.96	Calculated Property
η	0.0004253	Pa×s	410.06	Calculated Property

Similar Compounds

Find more compounds similar to Ethanol, 2-bromo-.

Sources

• Active Thermochemical Tables 1.112, gas-phase enthalpies of formation ChEDL chemicals 1.5.2, from Active Thermochemical Tables (ATcT), version 1.112, Argonne National Laboratory; Ruscic, B. et al. Active Thermochemical Tables: Thermochemistry for the 21st Century. J. Phys.: Conf. Ser. 2005, 16, 561.
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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