Chemical Properties of Naphtho[2,1-b]thiophene, 5-methyl

InChI

InChI=1S/C13H10S/c1-9-8-13-12(6-7-14-13)11-5-3-2-4-10(9)11/h2-8H,1H3

InChI Key

POXQFGLAZGCSQP-UHFFFAOYSA-N

Formula

C13H10S

SMILES

Cc1cc2sccc2c2ccccc12

Molecular Weight¹

198.28

Other Names

• 5-Methylnaphtho[2,1-b]thiophene

• 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	0.4510		Relay (1.0) Calculated Property
ΔfG°	271.42	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	190.70	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	84.30	kJ/mol	Relay (1.0) Calculated Property
IE	7.72	eV	Relay (1.0) Calculated Property
log10WS	-5.65		Relay (1.0) Calculated Property
logPoct/wat	4.363		Crippen Calculated Property
McVol	152.000	ml/mol	McGowan Calculated Property
Pc	3109.98	kPa	Relay (1.0-beta) Calculated Property
Inp	[306.26; 320.34]
Inp	306.26		NIST
Inp	306.53		NIST
Inp	320.34		NIST
Inp	306.26		NIST
Inp	320.34		NIST
Tboil	620.40	K	Relay (1.0) Calculated Property
Tc	880.64	K	Relay (1.0) Calculated Property
Tfus	377.31	K	Relay (1.0) Calculated Property
Vc	0.570	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Naphtho[2,1-b]thiophene, 5-methyl.

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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