Chemical Properties of Triphenyleno-di[1,12-bcd:8,9-bcd]thiophene

InChI

InChI=1S/C18H8S2/c1-3-9-10-4-2-6-12-16(10)18-14(20-12)8-7-13-17(18)15(9)11(5-1)19-13/h1-8H

InChI Key

FRRKTHIVLIBONP-UHFFFAOYSA-N

Formula

C18H8S2

SMILES

c1cc2sc3ccc4sc5cccc6c(c1)c2c3c4c56

Molecular Weight¹

288.39

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	410.82	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	128.45	kJ/mol	Relay (1.0) Calculated Property
IE	7.25	eV	Relay (1.0) Calculated Property
log10WS	-8.86		Relay (1.0) Calculated Property
logPoct/wat	6.451		Crippen Calculated Property
McVol	193.320	ml/mol	McGowan Calculated Property
Inp	[497.10; 497.90]
Inp	497.90		NIST
Inp	497.10		NIST
Inp	497.90		NIST
Inp	497.10		NIST
Tboil	777.82	K	Relay (1.0) Calculated Property
Tfus	563.63	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 Triphenyleno-di[1,12-bcd:8,9-bcd]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

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.
These property values are available through the Cheméo API. A free account gives you an access key.