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

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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).
• 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).
• I_np : Non-polar retention indices.
• 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
ω	0.3084		Relay (1.0) Calculated Property
ΔfG°	81.39	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	154.52	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	55.12	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	NIST
log10WS	-4.15		Relay (1.0) Calculated Property
logPoct/wat	3.273		Crippen Calculated Property
McVol	99.110	ml/mol	McGowan Calculated Property
Pc	4946.75	kPa	Relay (1.0-beta) Calculated Property
Inp	[1267.00; 1267.00]
Inp	1267.00		NIST
Inp	1267.00		NIST
Tboil	494.70	K	NIST
Tc	739.46	K	Relay (1.0) Calculated Property
Tfus	320.54	K	Relay (1.0) Calculated Property
Vc	0.338	m3/kmol	Relay (1.0) Calculated Property

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)
• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.