Chemical Properties of Thiophene, 2-phenyl- (CAS 825-55-8)

InChI

InChI=1S/C10H8S/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-8H

InChI Key

PJRGDKFLFAYRBV-UHFFFAOYSA-N

Formula

C10H8S

SMILES

c1ccc(-c2cccs2)cc1

Molecular Weight¹

160.24

CAS

825-55-8

Other Names

• 2-Phenylthiophene

• 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.
• I : 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	0.3142		Relay (1.0) Calculated Property
ΔfG°	238.42	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	223.49	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	65.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.06	eV	NIST
log10WS	-3.85		Relay (1.0) Calculated Property
logPoct/wat	3.415		Crippen Calculated Property
McVol	124.890	ml/mol	McGowan Calculated Property
Pc	4106.61	kPa	Relay (1.0-beta) Calculated Property
Inp	[1370.00; 1387.00]
Inp	1370.00		NIST
Inp	1376.00		NIST
Inp	1387.00		NIST
I	2124.00		NIST
Tboil	531.72	K	Relay (1.0) Calculated Property
Tc	763.26	K	Relay (1.0) Calculated Property
Tfus	294.55	K	Relay (1.0) Calculated Property
Vc	0.469	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Thiophene, 2-phenyl-.

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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