Chemical Properties of Dibenzothiophene, 5-oxide (CAS 1013-23-6)

InChI

InChI=1S/C12H8OS/c13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H

InChI Key

NGDPCAMPVQYGCW-UHFFFAOYSA-N

Formula

C12H8OS

SMILES

O=S1c2ccccc2-c2ccccc21

Molecular Weight¹

200.26

CAS

1013-23-6

Other Names

• Dibenzothiophene sulfoxide
• Dibenzothiophene S-oxide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• 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
ΔfG°	137.41	kJ/mol	Joback Calculated Property
ΔfH°gas	62.22	kJ/mol	Joback Calculated Property
ΔfusH°	22.69	kJ/mol	Joback Calculated Property
ΔvapH°	59.78	kJ/mol	Joback Calculated Property
IE	[8.10; 8.43]	eV
IE	8.10	eV	NIST
IE	8.43	eV	NIST
log10WS	-3.49		Crippen Calculated Property
logPoct/wat	2.834		Crippen Calculated Property
McVol	143.780	ml/mol	McGowan Calculated Property
Pc	4098.62	kPa	Joback Calculated Property
Tboil	577.48	K	Joback Calculated Property
Tc	826.37	K	Joback Calculated Property
Tfus	417.63	K	Joback Calculated Property
Vc	0.547	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[318.52; 381.80]	J/mol×K	[577.48; 826.37]
Cp,gas	318.52	J/mol×K	577.48	Joback Calculated Property
Cp,gas	331.67	J/mol×K	618.96	Joback Calculated Property
Cp,gas	343.60	J/mol×K	660.44	Joback Calculated Property
Cp,gas	354.44	J/mol×K	701.93	Joback Calculated Property
Cp,gas	364.34	J/mol×K	743.41	Joback Calculated Property
Cp,gas	373.41	J/mol×K	784.89	Joback Calculated Property
Cp,gas	381.80	J/mol×K	826.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dibenzothiophene, 5-oxide.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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