Chemical Properties of Naphtho[2,3-b]thiophene (CAS 268-77-9)

InChI

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

InChI Key

CYKIHIBNSFRKQP-UHFFFAOYSA-N

Formula

C12H8S

SMILES

c1ccc2cc3sccc3cc2c1

Molecular Weight¹

184.26

CAS

268-77-9

Other Names

• Naphtha[2,3-b]thiophene
• thiaphanthrene
• thiophanthrene

• 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	0.4156		Relay (1.0) Calculated Property
ΔfG°	271.35	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	231.72	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	80.45	kJ/mol	Relay (1.0) Calculated Property
IE	7.45	eV	Relay (1.0) Calculated Property
log10WS	-5.66		Relay (1.0) Calculated Property
logPoct/wat	4.054		Crippen Calculated Property
McVol	137.910	ml/mol	McGowan Calculated Property
Pc	3811.92	kPa	Relay (1.0-beta) Calculated Property
Inp	[303.56; 304.56]
Inp	304.56		NIST
Inp	304.10		NIST
Inp	304.46		NIST
Inp	304.47		NIST
Inp	304.28		NIST
Inp	304.10		NIST
Inp	304.28		NIST
Inp	Outlier 303.56		NIST
Inp	304.33		NIST
Inp	304.28		NIST
Tboil	614.56	K	Relay (1.0) Calculated Property
Tc	881.98	K	Relay (1.0) Calculated Property
Tfus	461.70	K	Reconciled thermophysical data for anthracene
Vc	0.524	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Naphtho[2,3-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
• Reconciled thermophysical data for anthracene
• 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.