Chemical Properties of Dibenzothiophene, 1,2,3,4,4a,4b-hexahydro

InChI

InChI=1S/C12H14S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7,11-12H,2,4,6,8H2

InChI Key

WDWCNEBLQHCZHC-UHFFFAOYSA-N

Formula

C12H14S

SMILES

C1=CC2=C3CCCCC3SC2C=C1

Molecular Weight¹

190.31

• 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).
• 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
ΔfG°	302.20	kJ/mol	Joback Calculated Property
ΔfH°gas	118.75	kJ/mol	Joback Calculated Property
ΔfusH°	18.32	kJ/mol	Joback Calculated Property
ΔvapH°	51.05	kJ/mol	Joback Calculated Property
log10WS	-4.20		Crippen Calculated Property
logPoct/wat	3.467		Crippen Calculated Property
McVol	150.810	ml/mol	McGowan Calculated Property
Pc	3173.97	kPa	Joback Calculated Property
Inp	[271.69; 271.69]
Inp	271.69		NIST
Inp	271.69		NIST
Tboil	571.20	K	Joback Calculated Property
Tc	826.72	K	Joback Calculated Property
Tfus	379.75	K	Joback Calculated Property
Vc	0.551	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[367.55; 460.78]	J/mol×K	[571.20; 826.72]
Cp,gas	367.55	J/mol×K	571.20	Joback Calculated Property
Cp,gas	386.56	J/mol×K	613.79	Joback Calculated Property
Cp,gas	403.99	J/mol×K	656.37	Joback Calculated Property
Cp,gas	419.98	J/mol×K	698.96	Joback Calculated Property
Cp,gas	434.68	J/mol×K	741.55	Joback Calculated Property
Cp,gas	448.23	J/mol×K	784.13	Joback Calculated Property
Cp,gas	460.78	J/mol×K	826.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dibenzothiophene, 1,2,3,4,4a,4b-hexahydro.

Sources

• 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.