Chemical Properties of Acetonitrile, bromo- (CAS 590-17-0)

InChI

InChI=1S/C2H2BrN/c3-1-2-4/h1H2

InChI Key

REXUYBKPWIPONM-UHFFFAOYSA-N

Formula

C2H2BrN

SMILES

N#CCBr

Molecular Weight¹

119.95

CAS

590-17-0

Other Names

• Bromoacetonitrile
• Bromomethyl cyanide
• Cyanomethyl bromide

• 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).
• I_np : Non-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
ω	0.4426		Relay (1.0) Calculated Property
ΔfG°	113.46	kJ/mol	Joback Calculated Property
ΔfH°gas	119.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.73	kJ/mol	Joback Calculated Property
ΔvapH°	45.54	kJ/mol	Relay (1.0) Calculated Property
IE	11.28	eV	NIST
log10WS	-0.35		Relay (1.0) Calculated Property
logPoct/wat	0.905		Crippen Calculated Property
McVol	57.920	ml/mol	McGowan Calculated Property
Pc	5359.18	kPa	Joback Calculated Property
Inp	[725.00; 725.00]
Inp	725.00		NIST
Inp	725.00		NIST
Inp	725.00		NIST
Tboil	441.45	K	Relay (1.0) Calculated Property
Tc	647.19	K	Relay (1.0) Calculated Property
Tfus	246.08	K	Relay (1.0) Calculated Property
Vc	0.238	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[76.64; 91.67]	J/mol×K	[413.40; 629.95]
Cp,gas	76.64	J/mol×K	413.40	Joback Calculated Property
Cp,gas	79.57	J/mol×K	449.49	Joback Calculated Property
Cp,gas	82.31	J/mol×K	485.58	Joback Calculated Property
Cp,gas	84.88	J/mol×K	521.67	Joback Calculated Property
Cp,gas	87.29	J/mol×K	557.76	Joback Calculated Property
Cp,gas	89.55	J/mol×K	593.86	Joback Calculated Property
Cp,gas	91.67	J/mol×K	629.95	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Acetonitrile, bromo-.

Sources

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

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