Chemical Properties of 2,2'-Methylenedithiophene (CAS 4341-34-8)

InChI

InChI=1S/C9H8S2/c1-3-8(10-5-1)7-9-4-2-6-11-9/h1-6H,7H2

InChI Key

JZSRHKOFXIACDX-UHFFFAOYSA-N

Formula

C9H8S2

SMILES

c1csc(Cc2cccs2)c1

Molecular Weight¹

180.29

CAS

4341-34-8

Other Names

• Bis(2-thienyl)methane
• Di-2-Thienylmethane
• Thiophene, 2,2'-methylenebis-
• Thiophene, 2,2'-methylenedi-
• 2,2'-Dithienylmethane

• 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).
• 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
ΔfH°gas	225.58	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	61.11	kJ/mol	Relay (1.0) Calculated Property
IE	[8.84; 9.05]	eV
IE	8.84	eV	NIST
IE	9.05	eV	NIST
log10WS	-3.59		Relay (1.0) Calculated Property
logPoct/wat	3.400		Crippen Calculated Property
McVol	131.450	ml/mol	McGowan Calculated Property
Pc	3704.91	kPa	Relay (1.0-beta) Calculated Property
Tboil	529.43	K	Relay (1.0) Calculated Property
Tc	757.95	K	Relay (1.0) Calculated Property
Tfus	285.25	K	Relay (1.0) Calculated Property
Vc	0.483	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

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

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

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.