Chemical Properties of 2,7-Dimethyldibenzothiophene (CAS 31317-19-8)

InChI

InChI=1S/C14H12S/c1-9-4-6-13-12(7-9)11-5-3-10(2)8-14(11)15-13/h3-8H,1-2H3

InChI Key

PUENKESSSKIEGY-UHFFFAOYSA-N

Formula

C14H12S

SMILES

Cc1ccc2c(c1)sc1ccc(C)cc12

Molecular Weight¹

212.31

CAS

31317-19-8

Other Names

• Dibenzothiophene, 3,8-dimethyl
• Dibenzothiophene, 2,7-dimethyl
• 3,8-dimethyl-dibenzothiophene

• 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	0.4906		Relay (1.0) Calculated Property
ΔfG°	240.36	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	157.79	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	88.44	kJ/mol	Relay (1.0) Calculated Property
IE	7.45	eV	Relay (1.0) Calculated Property
log10WS	-6.35		Relay (1.0) Calculated Property
logPoct/wat	4.671		Crippen Calculated Property
McVol	166.090	ml/mol	McGowan Calculated Property
Pc	2567.88	kPa	Relay (1.0-beta) Calculated Property
Inp	[332.02; 336.57]
Inp	332.02		NIST
Inp	333.15		NIST
Inp	335.33		NIST
Inp	336.57		NIST
Inp	336.00		NIST
Inp	336.10		NIST
Inp	336.09		NIST
Inp	332.02		NIST
Inp	336.09		NIST
Inp	336.00		NIST
Inp	336.10		NIST
Inp	333.15		NIST
Inp	336.09		NIST
Tboil	638.19	K	Relay (1.0) Calculated Property
Tc	885.58	K	Relay (1.0) Calculated Property
Tfus	409.19	K	Relay (1.0) Calculated Property
Vc	0.630	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2,7-Dimethyldibenzothiophene.

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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