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

• 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	0.6112		Relay (1.0) Calculated Property
ΔfG°	358.22	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	410.82	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	129.23	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
Pc	1853.21	kPa	Relay (1.0-beta) Calculated Property
Inp	[497.10; 497.90]
Inp	497.90		NIST
Inp	497.10		NIST
Tboil	777.82	K	Relay (1.0) Calculated Property
Tc	1111.00	K	Relay (1.0) Calculated Property
Tfus	562.45	K	Relay (1.0) Calculated Property
Vc	0.783	m3/kmol	Relay (1.0) Calculated Property

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

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