Chemical Properties of 2,2':5',2''-Terthiophene (CAS 1081-34-1)

InChI

InChI=1S/C12H8S3/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10/h1-8H

InChI Key

KXSFECAJUBPPFE-UHFFFAOYSA-N

Formula

C12H8S3

SMILES

c1csc(-c2ccc(-c3cccs3)s2)c1

Molecular Weight¹

248.39

CAS

1081-34-1

Other Names

• 2,2',5',2''-Terthienyl
• 2,2',5',2''-terthienyl, («alpha»-erthiophene, «alpha»-terthienyl)
• 2,2'-Bithiophene, 5-(2-thienyl)-
• 2,2':5',2''-terthienyl
• 2,2':5'2"-Terthiophene
• 2,5-di-2-thienylthiophene
• «alpha»-Terthienyl

• 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).
• 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_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	0.3965		Relay (1.0) Calculated Property
ΔfG°	285.27	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	338.20	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	101.52	kJ/mol	Relay (1.0) Calculated Property
IE	7.83	eV	Relay (1.0) Calculated Property
log10WS	-5.58		Relay (1.0) Calculated Property
logPoct/wat	5.205		Crippen Calculated Property
McVol	170.610	ml/mol	McGowan Calculated Property
Pc	3600.74	kPa	Relay (1.0-beta) Calculated Property
Inp	[2239.40; 2243.00]
Inp	2239.40		NIST
Inp	2243.00		NIST
Tboil	645.46	K	Relay (1.0) Calculated Property
Tc	882.62	K	Relay (1.0) Calculated Property
Tfus	365.30	K	Phase transition equilibrium of terthiophene isomers
Vc	0.628	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2,2':5',2''-Terthiophene.

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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