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

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

• 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 : 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	766.10	kJ/mol	NIST
BasG	735.70	kJ/mol	NIST
ΔfG°	-156.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-210.51	kJ/mol	Joback Calculated Property
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	-0.35		Crippen Calculated Property
logPoct/wat	0.374		Crippen Calculated Property
McVol	62.410	ml/mol	McGowan Calculated Property
Pc	6410.25	kPa	Joback Calculated Property
I	[1492.00; 1492.00]
I	1492.00		NIST
I	1492.00		NIST
Tboil	423.40 ± 0.70	K	NIST
Tc	585.51	K	Joback Calculated Property
Tfus	232.92	K	Joback Calculated Property
Vc	0.229	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[95.18; 117.60]	J/mol×K	[403.50; 585.51]
Cp,gas	95.18	J/mol×K	403.50	Joback Calculated Property
Cp,gas	99.41	J/mol×K	433.83	Joback Calculated Property
Cp,gas	103.42	J/mol×K	464.17	Joback Calculated Property
Cp,gas	107.24	J/mol×K	494.50	Joback Calculated Property
Cp,gas	110.87	J/mol×K	524.84	Joback Calculated Property
Cp,gas	114.32	J/mol×K	555.17	Joback Calculated Property
Cp,gas	117.60	J/mol×K	585.51	Joback Calculated Property
η	[0.0004697; 0.0441470]	Pa×s	[232.92; 403.50]
η	0.0441470	Pa×s	232.92	Joback Calculated Property
η	0.0137149	Pa×s	261.35	Joback Calculated Property
η	0.0053593	Pa×s	289.78	Joback Calculated Property
η	0.0024771	Pa×s	318.21	Joback Calculated Property
η	0.0012994	Pa×s	346.64	Joback Calculated Property
η	0.0007517	Pa×s	375.07	Joback Calculated Property
η	0.0004697	Pa×s	403.50	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

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

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.