Chemical Properties of Thiophene, 2,4-diethyl

InChI

InChI=1S/C8H12S/c1-3-7-5-8(4-2)9-6-7/h5-6H,3-4H2,1-2H3

InChI Key

DBTZOIMPUSTZCD-UHFFFAOYSA-N

Formula

C8H12S

SMILES

CCc1csc(CC)c1

Molecular Weight¹

140.25

Other Names

• 2,4-Diethyl-thiophene

• ω : Acentric Factor.
• 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 : 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	0.3730		Relay (1.0) Calculated Property
ΔvapH°	51.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.16	eV	Relay (1.0) Calculated Property
logPoct/wat	2.873		Crippen Calculated Property
McVol	120.470	ml/mol	McGowan Calculated Property
Pc	2983.78	kPa	Relay (1.0-beta) Calculated Property
I	[1355.00; 1355.00]
I	1355.00		NIST
I	1355.00		NIST
Tboil	451.00	K	Relay (1.0) Calculated Property
Tc	658.00	K	Relay (1.0) Calculated Property
Tfus	200.33	K	Relay (1.0) Calculated Property
Vc	0.456	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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, 2,4-diethyl.

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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