Chemical Properties of Thiophene-2-ol (CAS 17236-58-7)

InChI

InChI=1S/C4H4OS/c5-4-2-1-3-6-4/h1-3,5H

InChI Key

WZMPOCLULGAHJR-UHFFFAOYSA-N

Formula

C4H4OS

SMILES

Oc1cccs1

Molecular Weight¹

100.14

CAS

17236-58-7

• 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	0.4335		Relay (1.0) Calculated Property
ΔfG°	-50.83	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-100.70	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	70.92	kJ/mol	Relay (1.0) Calculated Property
IE	8.30	eV	Relay (1.0) Calculated Property
log10WS	-0.82		Relay (1.0) Calculated Property
logPoct/wat	1.454		Crippen Calculated Property
McVol	69.980	ml/mol	McGowan Calculated Property
Pc	6622.86	kPa	Relay (1.0-beta) Calculated Property
Inp	[956.00; 956.00]
Inp	956.00		NIST
Inp	956.00		NIST
Tboil	473.72	K	Relay (1.0) Calculated Property
Tc	699.37	K	Relay (1.0) Calculated Property
Tfus	344.92	K	Relay (1.0) Calculated Property
Vc	0.220	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Thiophene-2-ol.

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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