Chemical Properties of 2,2'-Bithiophene (CAS 492-97-7)

InChI

InChI=1S/C8H6S2/c1-3-7(9-5-1)8-4-2-6-10-8/h1-6H

InChI Key

OHZAHWOAMVVGEL-UHFFFAOYSA-N

Formula

C8H6S2

SMILES

c1csc(-c2cccs2)c1

Molecular Weight¹

166.26

CAS

492-97-7

Other Names

• 2,2'-Dithienyl
• 2,2'-Dithiophene
• 2,2'-bithienyl
• Dithienyl

• ω : Acentric Factor.
• EA : Electron affinity (eV).
• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• 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
ω	0.3039		Relay (1.0) Calculated Property
EA	[0.05; 0.07]	eV
EA	0.07 ± 0.02	eV	NIST
EA	0.05 ± 0.01	eV	NIST
ΔfG°	209.99	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	234.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.50	kJ/mol	Thermophysical properties of sulfur heterocycles: Thiane and thiophene derivatives
ΔsubH°	85.20 ± 0.40	kJ/mol	NIST
ΔvapH°	64.66	kJ/mol	Relay (1.0) Calculated Property
IE	7.83	eV	NIST
log10WS	-3.80		Relay (1.0) Calculated Property
logPoct/wat	3.477		Crippen Calculated Property
McVol	117.360	ml/mol	McGowan Calculated Property
Pc	4520.51	kPa	Relay (1.0-beta) Calculated Property
Inp	[1438.00; 1438.00]
Inp	1438.00		NIST
Inp	1438.00		NIST
Tboil	[533.00; 533.20]	K
Tboil	533.20	K	NIST
Tboil	533.00	K	NIST
Tc	754.90	K	Relay (1.0) Calculated Property
Tfus	[305.00; 306.00]	K
Tfus	306.00	K	NIST
Tfus	305.00 ± 4.00	K	NIST
Vc	0.432	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[399.50; 399.70]	K	[1.60; 1.60]
Tboilr	399.70	K	1.60	NIST
Tboilr	399.50 ± 1.50	K	1.60	NIST

Similar Compounds

Find more compounds similar to 2,2'-Bithiophene.

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
• Thermophysical properties of sulfur heterocycles: Thiane and thiophene derivatives
• McGowan Method
• NIST Webbook

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