Chemical Properties of Dibenzothiophene, 1,2,3,4-tetrahydro- (CAS 16587-33-0)

InChI

InChI=1S/C12H12S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7H,2,4,6,8H2

InChI Key

JCLPOPNXITXHOR-UHFFFAOYSA-N

Formula

C12H12S

SMILES

c1ccc2c3c(sc2c1)CCCC3

Molecular Weight¹

188.29

CAS

16587-33-0

Other Names

• 1,2,3,4-Tetrahydrodibenzo[b,d]thiophene
• 1,2,3,4-tetrahydrodibenzothiophene
• Tetrahydrodibenzothiophene

• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.01	kJ/mol	Possibl...
ΔvapH°	75.30 ± 0.70	kJ/mol	NIST
log10WS	-4.53		Crippen Calculated Property
logPoct/wat	3.780		Crippen Calculated Property
McVol	146.510	ml/mol	McGowan Calculated Property
Inp	[294.30; 294.30]
Inp	294.30		NIST
Inp	294.30		NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	32.03	kJ/mol	275.00	NIST
ΔvapH	[56.50; 70.30]	kJ/mol	[480.00; 480.00]
ΔvapH	70.30 ± 0.30	kJ/mol	480.00	NIST
ΔvapH	67.30 ± 0.30	kJ/mol	480.00	NIST
ΔvapH	64.50 ± 0.20	kJ/mol	480.00	NIST
ΔvapH	61.80 ± 0.20	kJ/mol	480.00	NIST
ΔvapH	59.20 ± 0.30	kJ/mol	480.00	NIST
ΔvapH	56.50 ± 0.40	kJ/mol	480.00	NIST

Similar Compounds

Find more compounds similar to Dibenzothiophene, 1,2,3,4-tetrahydro-.

Sources

• Crippen Method
• Crippen Method
• Possible precursors and products of deep hydrodesulfurization of gasoline and distillate fuels III. The thermodynamic properties of 1,2,3,4-tetrahydrodibenzothiophene
• McGowan Method
• NIST Webbook

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