Chemical Properties of 2,3,7,8-tetramethyl-dibenzothiophene

InChI

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

InChI Key

KKFXTFLABPKUPX-UHFFFAOYSA-N

Formula

C16H16S

SMILES

Cc1cc2sc3cc(C)c(C)cc3c2cc1C

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).
• 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	0.5613		Relay (1.0) Calculated Property
ΔfG°	230.67	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	104.12	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	97.51	kJ/mol	Relay (1.0) Calculated Property
IE	7.18	eV	Relay (1.0) Calculated Property
log10WS	-7.49		Relay (1.0) Calculated Property
logPoct/wat	5.288		Crippen Calculated Property
McVol	194.270	ml/mol	McGowan Calculated Property
Pc	2073.04	kPa	Relay (1.0-beta) Calculated Property
Inp	[378.95; 378.95]
Inp	378.95		NIST
Inp	378.95		NIST
Tboil	661.99	K	Relay (1.0) Calculated Property
Tc	912.86	K	Relay (1.0) Calculated Property
Tfus	500.74	K	Relay (1.0) Calculated Property
Vc	0.731	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2,3,7,8-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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