Chemical Properties of Phenanthro(3,2-b)thiophene (CAS 224-10-2)

InChI

InChI=1S/C16H10S/c1-2-4-14-11(3-1)5-6-12-9-13-7-8-17-16(13)10-15(12)14/h1-10H

InChI Key

BKDNKFGDTSYPHA-UHFFFAOYSA-N

Formula

C16H10S

SMILES

c1ccc2c(c1)ccc1cc3ccsc3cc12

Molecular Weight¹

234.32

CAS

224-10-2

• 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	0.5005		Relay (1.0) Calculated Property
ΔfG°	346.04	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	290.90	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	104.24	kJ/mol	Relay (1.0) Calculated Property
IE	7.38	eV	Relay (1.0) Calculated Property
log10WS	-7.00		Relay (1.0) Calculated Property
logPoct/wat	5.208		Crippen Calculated Property
McVol	174.810	ml/mol	McGowan Calculated Property
Pc	2862.90	kPa	Relay (1.0-beta) Calculated Property
Inp	[401.49; 401.89]
Inp	401.60		NIST
Inp	401.49		NIST
Inp	401.78		NIST
Inp	401.52		NIST
Inp	401.89		NIST
Inp	401.60		NIST
Tboil	712.07	K	Relay (1.0) Calculated Property
Tc	991.09	K	Relay (1.0) Calculated Property
Tfus	466.42	K	Relay (1.0) Calculated Property
Vc	0.664	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Phenanthro(3,2-b)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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