Chemical Properties of 1-Propene, 2,3-dibromo- (CAS 513-31-5)

InChI

InChI=1S/C3H4Br2/c1-3(5)2-4/h1-2H2

InChI Key

YMFWYDYJHRGGPF-UHFFFAOYSA-N

Formula

C3H4Br2

SMILES

C=C(Br)CBr

Molecular Weight¹

199.87

CAS

513-31-5

Other Names

• 1,2-Dibromo-2-propene
• 2,3-Dibromo-1-propene
• 2,3-Dibromopropene
• 2,3-Dibromopropylene
• 2-Bromoallyl bromide
• Propene, 2,3-dibromo-

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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).
• 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
ΔfG°	82.31	kJ/mol	Joback Calculated Property
ΔfH°gas	63.05	kJ/mol	Joback Calculated Property
ΔfusH°	11.51	kJ/mol	Joback Calculated Property
ΔvapH°	34.55	kJ/mol	Joback Calculated Property
log10WS	-2.29		Crippen Calculated Property
logPoct/wat	2.290		Crippen Calculated Property
McVol	83.830	ml/mol	McGowan Calculated Property
Pc	5730.52	kPa	Joback Calculated Property
Inp	[852.00; 852.00]
Inp	852.00		NIST
Inp	852.00		NIST
Tboil	414.20	K	NIST
Tc	614.99	K	Joback Calculated Property
Tfus	227.45	K	Joback Calculated Property
Vc	0.309	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[109.41; 135.86]	J/mol×K	[396.92; 614.99]
Cp,gas	109.41	J/mol×K	396.92	Joback Calculated Property
Cp,gas	114.78	J/mol×K	433.26	Joback Calculated Property
Cp,gas	119.72	J/mol×K	469.61	Joback Calculated Property
Cp,gas	124.27	J/mol×K	505.95	Joback Calculated Property
Cp,gas	128.45	J/mol×K	542.30	Joback Calculated Property
Cp,gas	132.30	J/mol×K	578.64	Joback Calculated Property
Cp,gas	135.86	J/mol×K	614.99	Joback Calculated Property
ΔvapH	43.10	kJ/mol	341.00	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[316.00; 316.20]	K	[2.30; 2.30]
Tboilr	316.20	K	2.30	NIST
Tboilr	316.00 ± 1.00	K	2.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[302.98; 441.30]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49338e+01
Coefficient B			-3.87999e+03
Coefficient C			-3.80660e+01
Temperature range, min.			302.98
Temperature range, max.			441.30
Pvap	1.33	kPa	302.98	Calculated Property
Pvap	2.98	kPa	318.35	Calculated Property
Pvap	6.11	kPa	333.72	Calculated Property
Pvap	11.69	kPa	349.09	Calculated Property
Pvap	21.03	kPa	364.46	Calculated Property
Pvap	35.90	kPa	379.82	Calculated Property
Pvap	58.52	kPa	395.19	Calculated Property
Pvap	91.61	kPa	410.56	Calculated Property
Pvap	138.42	kPa	425.93	Calculated Property
Pvap	202.67	kPa	441.30	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propene, 2,3-dibromo-.

Sources

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

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