Chemical Properties of Phenanthro[9,10-b]thiophene

InChI

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

InChI Key

OGOOBRWCZLKZSV-UHFFFAOYSA-N

Formula

C16H10S

SMILES

c1ccc2c(c1)c1ccccc1c1sccc21

Molecular Weight¹

234.32

• 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	0.4871		Relay (1.0) Calculated Property
ΔfG°	355.82	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	277.10	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	103.55	kJ/mol	Relay (1.0) Calculated Property
IE	7.70	eV	Relay (1.0) Calculated Property
log10WS	-6.71		Relay (1.0) Calculated Property
logPoct/wat	5.208		Crippen Calculated Property
McVol	174.810	ml/mol	McGowan Calculated Property
Pc	2604.59	kPa	Relay (1.0-beta) Calculated Property
Inp	[394.00; 394.96]
Inp	394.64		NIST
Inp	394.90		NIST
Inp	394.64		NIST
Inp	394.96		NIST
Inp	394.80		NIST
Inp	Outlier 394.00		NIST
Inp	394.80		NIST
Inp	394.64		NIST
Tboil	707.72	K	Relay (1.0) Calculated Property
Tc	991.63	K	Relay (1.0) Calculated Property
Tfus	395.05	K	Relay (1.0) Calculated Property
Vc	0.665	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Phenanthro[9,10-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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.