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

241.94

CAS

3141-26-2

Other Names

• 3,4-Dibromothiophene

• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• 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
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

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[320.20; 539.86]	The Yaws Handbook of Vapor Pressure
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

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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