Chemical Properties of Phenanthro(2,1-b)thiophene (CAS 219-25-0)

InChI

InChI=1S/C16H10S/c1-2-4-12-11(3-1)5-6-14-13(12)7-8-16-15(14)9-10-17-16/h1-10H

InChI Key

WYAKNOROQVZSDA-UHFFFAOYSA-N

Formula

C16H10S

SMILES

c1ccc2c(c1)ccc1c3ccsc3ccc21

Molecular Weight¹

234.32

CAS

219-25-0

• 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	0.4915		Relay (1.0) Calculated Property
ΔfG°	354.09	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	280.15	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	106.57	kJ/mol	Relay (1.0) Calculated Property
IE	7.64	eV	Relay (1.0) Calculated Property
log10WS	-6.79		Relay (1.0) Calculated Property
logPoct/wat	5.208		Crippen Calculated Property
McVol	174.810	ml/mol	McGowan Calculated Property
Pc	2811.07	kPa	Relay (1.0-beta) Calculated Property
Inp	[399.58; 400.75]
Inp	400.75		NIST
Inp	400.75		NIST
Inp	399.58		NIST
Inp	400.59		NIST
Tboil	710.48	K	Relay (1.0) Calculated Property
Tc	988.64	K	Relay (1.0) Calculated Property
Tfus	439.77	K	Relay (1.0) Calculated Property
Vc	0.667	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Phenanthro(2,1-b)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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