Chemical Properties of Thiophene, 2-(pentylthio)- (CAS 54798-87-7)

InChI

InChI=1S/C9H14S2/c1-2-3-4-7-10-9-6-5-8-11-9/h5-6,8H,2-4,7H2,1H3

InChI Key

PMOLPBAEMHMCKW-UHFFFAOYSA-N

Formula

C9H14S2

SMILES

CCCCCSc1cccs1

Molecular Weight¹

186.34

CAS

54798-87-7

Other Names

• 1-(2-Thienyl)-1-thiahexane
• 2-(Pentylthio)-thiophene

• 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	0.3818		Relay (1.0) Calculated Property
ΔfG°	136.29	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	27.96	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	64.36	kJ/mol	Relay (1.0) Calculated Property
IE	7.97	eV	Relay (1.0) Calculated Property
log10WS	-4.76		Relay (1.0) Calculated Property
logPoct/wat	4.030		Crippen Calculated Property
McVol	150.910	ml/mol	McGowan Calculated Property
Pc	2662.78	kPa	Relay (1.0-beta) Calculated Property
Inp	[1372.00; 1372.00]
Inp	1372.00		NIST
Inp	1372.00		NIST
Tboil	521.75	K	Relay (1.0) Calculated Property
Tc	715.19	K	Relay (1.0) Calculated Property
Tfus	239.96	K	Relay (1.0) Calculated Property
Vc	0.545	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Thiophene, 2-(pentylthio)-.

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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