Chemical Properties of Naphtho[1,2-c] or [2,3-c]thiophene

InChI

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

InChI Key

YPEFMQGGABUYFX-UHFFFAOYSA-N

Formula

C12H8S

SMILES

c1ccc2c(c1)ccc1cscc12

Molecular Weight¹

184.26

• 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	0.4093		Relay (1.0) Calculated Property
ΔfG°	281.12	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	240.65	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	78.91	kJ/mol	Relay (1.0) Calculated Property
IE	7.69	eV	Relay (1.0) Calculated Property
log10WS	-5.37		Relay (1.0) Calculated Property
logPoct/wat	4.054		Crippen Calculated Property
McVol	137.910	ml/mol	McGowan Calculated Property
Pc	3792.99	kPa	Relay (1.0-beta) Calculated Property
Inp	[302.08; 302.08]
Inp	302.08		NIST
Inp	302.08		NIST
Tboil	612.59	K	Relay (1.0) Calculated Property
Tc	895.88	K	Relay (1.0) Calculated Property
Tfus	371.21	K	Relay (1.0) Calculated Property
Vc	0.517	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Naphtho[1,2-c] or [2,3-c]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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