Chemical Properties of Thiophene, 3,4-dibromo- (CAS 3141-26-2)

InChI

InChI=1S/C4H2Br2S/c5-3-1-7-2-4(3)6/h1-2H

InChI Key

VGKLVWTVCUDISO-UHFFFAOYSA-N

Formula

C4H2Br2S

SMILES

Brc1cscc1Br

Molecular Weight¹

241.93

CAS

3141-26-2

Other Names

• 3,4-Dibromothiophene

• Δ_vapH : Enthalpy of vaporization at a given temperature (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_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	8.94	eV	NIST
log10WS	-3.55		Crippen Calculated Property
logPoct/wat	3.273		Crippen Calculated Property
McVol	99.110	ml/mol	McGowan Calculated Property
Inp	[1267.00; 1267.00]
Inp	1267.00		NIST
Inp	1267.00		NIST
Tboil	494.70	K	NIST

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[320.20; 539.86]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.34269e+01
Coefficient B			-4.66212e+03
Coefficient C			3.46180e+01
Temperature range, min.			320.20
Temperature range, max.			539.86
Pvap	1.33	kPa	320.20	Calculated Property
Pvap	3.11	kPa	344.61	Calculated Property
Pvap	6.53	kPa	369.01	Calculated Property
Pvap	12.62	kPa	393.42	Calculated Property
Pvap	22.71	kPa	417.83	Calculated Property
Pvap	38.48	kPa	442.23	Calculated Property
Pvap	61.94	kPa	466.64	Calculated Property
Pvap	95.39	kPa	491.05	Calculated Property
Pvap	141.38	kPa	515.45	Calculated Property
Pvap	202.66	kPa	539.86	Calculated Property

Similar Compounds

Find more compounds similar to Thiophene, 3,4-dibromo-.

Sources

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

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