Chemical Properties of Naphtho[1,2-b]thiophene (CAS 234-41-3)

InChI

InChI=1S/C12H8S/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11/h1-8H

InChI Key

XHYRHAQEXJIVJX-UHFFFAOYSA-N

Formula

C12H8S

SMILES

c1ccc2c(c1)ccc1ccsc12

Molecular Weight¹

184.26

CAS

234-41-3

Other Names

• 6,7-Benzothionaphthene

• 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	0.4072		Relay (1.0) Calculated Property
ΔfG°	277.03	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	227.40	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	77.81	kJ/mol	Relay (1.0) Calculated Property
IE	7.74	eV	Relay (1.0) Calculated Property
log10WS	-5.07		Relay (1.0) Calculated Property
logPoct/wat	4.054		Crippen Calculated Property
McVol	137.910	ml/mol	McGowan Calculated Property
Pc	3685.74	kPa	Relay (1.0-beta) Calculated Property
Inp	[292.86; 295.80]
Inp	295.52		NIST
Inp	295.80		NIST
Inp	294.26		NIST
Inp	293.28		NIST
Inp	292.86		NIST
Tboil	609.79	K	Relay (1.0) Calculated Property
Tc	879.51	K	Relay (1.0) Calculated Property
Tfus	340.62	K	Relay (1.0) Calculated Property
Vc	0.522	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Naphtho[1,2-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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