Chemical Properties of Naphtho[2,1-b]thiophene, 4-methyl

InChI

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

InChI Key

QBGXIBSLDLYOHS-UHFFFAOYSA-N

Formula

C13H10S

SMILES

Cc1cc2ccccc2c2ccsc12

Molecular Weight¹

198.28

Other Names

• 4-methylnaphto[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	0.4485		Relay (1.0) Calculated Property
ΔfG°	271.37	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	186.32	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	82.82	kJ/mol	Relay (1.0) Calculated Property
IE	7.75	eV	Relay (1.0) Calculated Property
log10WS	-5.64		Relay (1.0) Calculated Property
logPoct/wat	4.363		Crippen Calculated Property
McVol	152.000	ml/mol	McGowan Calculated Property
Pc	3199.04	kPa	Relay (1.0-beta) Calculated Property
Inp	[315.73; 318.12]
Inp	318.12		NIST
Inp	315.73		NIST
Inp	317.40		NIST
Inp	318.12		NIST
Tboil	614.99	K	Relay (1.0) Calculated Property
Tc	881.78	K	Relay (1.0) Calculated Property
Tfus	357.54	K	Relay (1.0) Calculated Property
Vc	0.571	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Naphtho[2,1-b]thiophene, 4-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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