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

• ω : Acentric Factor.
• 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).
• 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	0.2402		Relay (... Calculated Property
ΔfG°	302.20	kJ/mol	Joback Calculated Property
ΔfH°gas	206.75	kJ/mol	Relay (... Calculated Property
ΔfusH°	18.32	kJ/mol	Joback Calculated Property
ΔvapH°	69.51	kJ/mol	Relay (... Calculated Property
IE	7.62	eV	Relay (... Calculated Property
log10WS	-3.67		Relay (... 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	537.83	K	Relay (... Calculated Property
Tc	801.31	K	Relay (... Calculated Property
Tfus	345.46	K	Relay (... Calculated Property
Vc	0.515	m3/kmol	Relay (... 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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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