Chemical Properties of Thiophene, 3-phenyl- (CAS 2404-87-7)

InChI

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

InChI Key

ZDQZVKVIYAPRON-UHFFFAOYSA-N

Formula

C10H8S

SMILES

c1ccc(-c2ccsc2)cc1

Molecular Weight¹

160.24

CAS

2404-87-7

Other Names

• 3-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	0.3220		Relay (1.0) Calculated Property
ΔfG°	244.48	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	229.25	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	66.75	kJ/mol	Relay (1.0) Calculated Property
IE	8.04	eV	Relay (1.0) Calculated Property
log10WS	-4.18		Relay (1.0) Calculated Property
logPoct/wat	3.415		Crippen Calculated Property
McVol	124.890	ml/mol	McGowan Calculated Property
Pc	4110.30	kPa	Relay (1.0-beta) Calculated Property
Inp	[1376.00; 1387.00]
Inp	1376.00		NIST
Inp	1379.00		NIST
Inp	Outlier 1387.00		NIST
Inp	1377.00		NIST
Inp	1377.00		NIST
Inp	1377.00		NIST
I	[2090.00; 2140.00]
I	2107.00		NIST
I	2124.00		NIST
I	2140.00		NIST
I	2090.00		NIST
I	2090.00		NIST
Tboil	536.76	K	Relay (1.0) Calculated Property
Tc	776.25	K	Relay (1.0) Calculated Property
Tfus	330.77	K	Relay (1.0) Calculated Property
Vc	0.464	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Thiophene, 3-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

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.