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

• 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).
• 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
ΔfH°gas	-100.70	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	70.16	kJ/mol	Relay (1.0) Calculated Property
IE	8.30	eV	Relay (1.0) Calculated Property
logPoct/wat	1.454		Crippen Calculated Property
McVol	69.980	ml/mol	McGowan Calculated Property
Pc	6794.40	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	695.01	K	Relay (1.0) Calculated Property
Tfus	353.09	K	Relay (1.0) Calculated Property
Vc	0.209	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

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.
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