Chemical Properties of 2,4,6,8-tetramethyl-dibenzothiophene

InChI

InChI=1S/C16H16S/c1-9-5-11(3)15-13(7-9)14-8-10(2)6-12(4)16(14)17-15/h5-8H,1-4H3

InChI Key

PWZYSQKXNQYCFX-UHFFFAOYSA-N

Formula

C16H16S

SMILES

Cc1cc(C)c2sc3c(C)cc(C)cc3c2c1

Molecular Weight¹

240.36

• 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).
• 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	0.5682		Relay (1.0) Calculated Property
ΔfG°	225.66	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	109.82	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	94.35	kJ/mol	Relay (1.0) Calculated Property
IE	7.35	eV	Relay (1.0) Calculated Property
logPoct/wat	5.288		Crippen Calculated Property
McVol	194.270	ml/mol	McGowan Calculated Property
Pc	2105.20	kPa	Relay (1.0-beta) Calculated Property
Inp	[359.69; 359.69]
Inp	359.69		NIST
Inp	359.69		NIST
Tboil	647.41	K	Relay (1.0) Calculated Property
Tc	907.72	K	Relay (1.0) Calculated Property
Tfus	417.65	K	Relay (1.0) Calculated Property
Vc	0.736	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Similar Compounds

Find more compounds similar to 2,4,6,8-tetramethyl-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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