Chemical Properties of 2,4,6-trimethyl-dibenzothiophene

InChI

InChI=1S/C15H14S/c1-9-7-11(3)15-13(8-9)12-6-4-5-10(2)14(12)16-15/h4-8H,1-3H3

InChI Key

UIQMWWBKGOJSTG-UHFFFAOYSA-N

Formula

C15H14S

SMILES

Cc1cc(C)c2sc3c(C)cccc3c2c1

Molecular Weight¹

226.34

Other Names

• Dibenzothiophene, 2,4,6-trimethyl

• ω : Acentric Factor.
• 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	0.5218		Relay (1.0) Calculated Property
IE	7.45	eV	Relay (1.0) Calculated Property
log10WS	-6.59		Relay (1.0) Calculated Property
logPoct/wat	4.980		Crippen Calculated Property
McVol	180.180	ml/mol	McGowan Calculated Property
Pc	2356.97	kPa	Relay (1.0-beta) Calculated Property
Inp	[342.49; 2115.00]
Inp	2115.00		NIST
Inp	344.63		NIST
Inp	342.49		NIST
Inp	344.63		NIST
Inp	342.49		NIST
Tboil	636.33	K	Relay (1.0) Calculated Property
Tc	901.20	K	Relay (1.0) Calculated Property
Tfus	364.28	K	Relay (1.0) Calculated Property
Vc	0.682	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization 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 2,4,6-trimethyl-dibenzothiophene.

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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