Chemical Properties of Thieno[2,3-b]thiophene (CAS 250-84-0)

InChI

InChI=1S/C6H4S2/c1-3-7-6-5(1)2-4-8-6/h1-4H

InChI Key

YHBTXTFFTYXOFV-UHFFFAOYSA-N

Formula

C6H4S2

SMILES

c1cc2ccsc2s1

Molecular Weight¹

140.23

CAS

250-84-0

• 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	0.2843		Relay (1.0) Calculated Property
ΔfG°	182.43	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	203.84	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	59.03	kJ/mol	Relay (1.0) Calculated Property
IE	[8.32; 9.15]	eV
IE	8.32	eV	NIST
IE	9.15	eV	NIST
IE	8.32	eV	NIST
IE	8.45	eV	NIST
log10WS	-3.53		Relay (1.0) Calculated Property
logPoct/wat	2.963		Crippen Calculated Property
McVol	93.480	ml/mol	McGowan Calculated Property
Pc	5277.18	kPa	Relay (1.0-beta) Calculated Property
Inp	[201.25; 1239.00]
Inp	1225.00		NIST
Inp	1239.00		NIST
Inp	1212.00		NIST
Inp	1220.00		NIST
Inp	201.25		NIST
Inp	201.25		NIST
Inp	1212.00		NIST
Tboil	483.65	K	Relay (1.0) Calculated Property
Tc	729.18	K	Relay (1.0) Calculated Property
Tfus	335.30	K	Relay (1.0) Calculated Property
Vc	0.324	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Thieno[2,3-b]thiophene.

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

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