Chemical Properties of Phenaleno[1,9-bc]thiophene

InChI

InChI=1S/C14H8S/c1-2-9-4-5-11-8-15-12-7-6-10(3-1)13(9)14(11)12/h1-8H

InChI Key

RIYPNUWTALNKLM-UHFFFAOYSA-N

Formula

C14H8S

SMILES

c1cc2ccc3csc4ccc(c1)c2c34

Molecular Weight¹

208.29

• 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
ΔfH°gas	270.74	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	84.17	kJ/mol	Relay (1.0) Calculated Property
IE	7.37	eV	Relay (1.0) Calculated Property
log10WS	-6.05		Relay (1.0) Calculated Property
logPoct/wat	4.646		Crippen Calculated Property
McVol	150.930	ml/mol	McGowan Calculated Property
Pc	3006.27	kPa	Relay (1.0-beta) Calculated Property
Inp	[347.28; 354.83]
Inp	354.83		NIST
Inp	347.28		NIST
Inp	347.28		NIST
Inp	354.83		NIST
Tboil	666.17	K	Relay (1.0) Calculated Property
Tc	963.21	K	Relay (1.0) Calculated Property
Tfus	391.97	K	Relay (1.0) Calculated Property
Vc	0.591	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 Phenaleno[1,9-bc]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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