Chemical Properties of 3,3'-Bithiophene (CAS 3172-56-3)

InChI

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

InChI Key

IAAQEGBHNXAHBF-UHFFFAOYSA-N

Formula

C8H6S2

SMILES

c1cc(-c2ccsc2)cs1

Molecular Weight¹

166.26

CAS

3172-56-3

Other Names

• 3,3'-Dithienyl
• 3,3'-bithienyl

• 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_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).
• 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	0.3286		Relay (1.0) Calculated Property
ΔfG°	218.57	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	244.30	kJ/mol	Relay (1.0) Calculated Property
ΔsubH°	89.20 ± 0.30	kJ/mol	NIST
ΔvapH°	69.24	kJ/mol	Relay (1.0) Calculated Property
IE	[7.99; 8.20]	eV
IE	7.99	eV	NIST
IE	7.99	eV	NIST
IE	8.20	eV	NIST
log10WS	-4.23		Relay (1.0) Calculated Property
logPoct/wat	3.477		Crippen Calculated Property
McVol	117.360	ml/mol	McGowan Calculated Property
Pc	4510.93	kPa	Relay (1.0-beta) Calculated Property
Tboil	531.94	K	Relay (1.0) Calculated Property
Tc	769.13	K	Relay (1.0) Calculated Property
Tfus	406.20	K	Phase transition equilibrium of terthiophene isomers
Vc	0.420	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to 3,3'-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
• Phase transition equilibrium of terthiophene isomers
• McGowan Method
• NIST Webbook

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