Chemical Properties of Triphenyleno[4,5-bcd]thiophene

InChI

InChI=1S/C18H10S/c1-2-6-12-11(5-1)13-7-3-9-15-17(13)18-14(12)8-4-10-16(18)19-15/h1-10H

InChI Key

GFFHWBASMBTYKN-UHFFFAOYSA-N

Formula

C18H10S

SMILES

c1ccc2c(c1)c1cccc3sc4cccc2c4c31

Molecular Weight¹

258.34

Other Names

• Triphenyleno[1,12-bcd]thiophene

• 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	0.5565		Relay (1.0) Calculated Property
ΔfG°	372.34	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	347.55	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	117.43	kJ/mol	Relay (1.0) Calculated Property
IE	7.37	eV	Relay (1.0) Calculated Property
log10WS	-7.89		Relay (1.0) Calculated Property
logPoct/wat	5.799		Crippen Calculated Property
McVol	187.830	ml/mol	McGowan Calculated Property
Pc	2069.53	kPa	Relay (1.0-beta) Calculated Property
Inp	[439.00; 448.50]
Inp	448.50		NIST
Inp	448.10		NIST
Inp	448.45		NIST
Inp	447.99		NIST
Inp	Outlier 439.00		NIST
Inp	447.99		NIST
Inp	448.50		NIST
Tboil	751.22	K	Relay (1.0) Calculated Property
Tc	1057.69	K	Relay (1.0) Calculated Property
Tfus	497.24	K	Relay (1.0) Calculated Property
Vc	0.734	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Triphenyleno[4,5-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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.