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

InChI

InChI=1S/C17H12S/c1-11-10-18-16-7-6-14-8-12-4-2-3-5-13(12)9-15(14)17(11)16/h2-10H,1H3

InChI Key

ATNNEKZLGVHIPV-UHFFFAOYSA-N

Formula

C17H12S

SMILES

Cc1csc2ccc3cc4ccccc4cc3c12

Molecular Weight¹

248.35

• 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
ΔfH°gas	268.20	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	104.67	kJ/mol	Relay (1.0) Calculated Property
IE	7.22	eV	Relay (1.0) Calculated Property
log10WS	-7.35		Relay (1.0) Calculated Property
logPoct/wat	5.516		Crippen Calculated Property
McVol	188.900	ml/mol	McGowan Calculated Property
Pc	2325.32	kPa	Relay (1.0-beta) Calculated Property
Inp	[416.04; 416.04]
Inp	416.04		NIST
Inp	416.04		NIST
Tboil	719.32	K	Relay (1.0) Calculated Property
Tc	998.84	K	Relay (1.0) Calculated Property
Tfus	443.18	K	Relay (1.0) Calculated Property
Vc	0.706	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor 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 Anthro[2,1-b]thiophene, 1-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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