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.
• 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
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	3089.85	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	881.62	K	Relay (1.0) Calculated Property
Tfus	371.25	K	Relay (1.0) Calculated Property
Vc	0.569	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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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