Chemical Properties of 2-Decylbenzo[b]thiophene

InChI

InChI=1S/C18H26S/c1-2-3-4-5-6-7-8-9-13-17-15-16-12-10-11-14-18(16)19-17/h10-12,14-15H,2-9,13H2,1H3

InChI Key

GBEDDXJNORCMAE-UHFFFAOYSA-N

Formula

C18H26S

SMILES

CCCCCCCCCCc1cc2ccccc2s1

Molecular Weight¹

274.46

Other Names

• Benzo[b]thiophene, 2-decyl

• ω : Acentric Factor.
• 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	0.7381		Relay (1.0) Calculated Property
ΔvapH°	99.98	kJ/mol	Relay (1.0) Calculated Property
IE	7.98	eV	Relay (1.0) Calculated Property
log10WS	-7.27		Relay (1.0) Calculated Property
logPoct/wat	6.585		Crippen Calculated Property
McVol	241.910	ml/mol	McGowan Calculated Property
Pc	1671.74	kPa	Relay (1.0-beta) Calculated Property
Inp	[2212.00; 2223.00]
Inp	2212.00		NIST
Inp	2223.00		NIST
Inp	2222.60		NIST
Inp	2212.00		NIST
Inp	2212.00		NIST
Tboil	637.40	K	Relay (1.0) Calculated Property
Tc	839.15	K	Relay (1.0) Calculated Property
Tfus	304.95	K	Relay (1.0) Calculated Property
Vc	0.932	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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 2-Decylbenzo[b]thiophene.

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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