Chemical Properties of Dibenzothiophene, 5-oxide

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

Other Names

• Dibenzothiophene sulfoxide
• Dibenzothiophene S-oxide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	107.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.69	kJ/mol	Joback Calculated Property
IE	[8.10; 8.43]	eV
IE	8.10	eV	NIST
IE	8.43	eV	NIST
log10WS	-4.62		Relay (1.0) Calculated Property
logPoct/wat	2.834		Crippen Calculated Property
McVol	143.780	ml/mol	McGowan Calculated Property
Tboil	651.79	K	Relay (1.0) Calculated Property
Tfus	424.72	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[172.01; 412.46]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-6.45300e+01
Coefficient B			1.09761e+00
Coefficient C			-9.31720e-04
Coefficient D			3.11100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	172.01	J/mol×K	273.00	Calculated Property
Cp,gas	220.94	J/mol×K	353.78	Calculated Property
Cp,gas	262.03	J/mol×K	434.56	Calculated Property
Cp,gas	296.25	J/mol×K	515.33	Calculated Property
Cp,gas	324.58	J/mol×K	596.11	Calculated Property
Cp,gas	348.02	J/mol×K	676.89	Calculated Property
Cp,gas	367.54	J/mol×K	757.67	Calculated Property
Cp,gas	384.13	J/mol×K	838.44	Calculated Property
Cp,gas	398.78	J/mol×K	919.22	Calculated Property
Cp,gas	412.46	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzothiophene, 5-oxide.

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
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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