Chemical Properties of Isopropenyl bromide (CAS 557-93-7)

InChI

InChI=1S/C3H5Br/c1-3(2)4/h1H2,2H3

InChI Key

PHMRPWPDDRGGGF-UHFFFAOYSA-N

Formula

C3H5Br

SMILES

C=C(C)Br

Molecular Weight¹

120.98

CAS

557-93-7

Other Names

• 1-Propene, 2-bromo-
• 2-Bromo-1-propene
• 2-Bromopropene
• 2-Bromopropylene
• CH3CBr=CH2
• Isopropylene bromide
• NSC 87535
• Propene, 2-bromo-
• «alpha»-Methylvinyl bromide
• «alpha»-Methylvinyl bromide

• 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).
• 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°	67.99	kJ/mol	Joback Calculated Property
ΔfH°gas	36.72	kJ/mol	Joback Calculated Property
ΔfusH°	6.22	kJ/mol	Joback Calculated Property
ΔvapH°	28.12	kJ/mol	Joback Calculated Property
IE	9.58 ± 0.02	eV	NIST
log10WS	-1.86		Crippen Calculated Property
logPoct/wat	1.915		Crippen Calculated Property
McVol	66.330	ml/mol	McGowan Calculated Property
Pc	5175.72	kPa	Joback Calculated Property
Tboil	[321.00; 321.60]	K
Tboil	321.60	K	NIST
Tboil	321.00	K	NIST
Tc	524.94	K	Joback Calculated Property
Tfus	167.65	K	Joback Calculated Property
Vc	0.247	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[84.18; 113.01]	J/mol×K	[330.76; 524.94]
Cp,gas	84.18	J/mol×K	330.76	Joback Calculated Property
Cp,gas	89.73	J/mol×K	363.12	Joback Calculated Property
Cp,gas	94.95	J/mol×K	395.49	Joback Calculated Property
Cp,gas	99.88	J/mol×K	427.85	Joback Calculated Property
Cp,gas	104.52	J/mol×K	460.21	Joback Calculated Property
Cp,gas	108.89	J/mol×K	492.57	Joback Calculated Property
Cp,gas	113.01	J/mol×K	524.94	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[231.53; 343.87]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.48367e+01
Coefficient B			-3.09866e+03
Coefficient C			-1.85550e+01
Temperature range, min.			231.53
Temperature range, max.			343.87
Pvap	1.33	kPa	231.53	Calculated Property
Pvap	2.98	kPa	244.01	Calculated Property
Pvap	6.13	kPa	256.49	Calculated Property
Pvap	11.74	kPa	268.98	Calculated Property
Pvap	21.12	kPa	281.46	Calculated Property
Pvap	36.04	kPa	293.94	Calculated Property
Pvap	58.70	kPa	306.42	Calculated Property
Pvap	91.82	kPa	318.91	Calculated Property
Pvap	138.59	kPa	331.39	Calculated Property
Pvap	202.67	kPa	343.87	Calculated Property

Similar Compounds

Find more compounds similar to Isopropenyl bromide.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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