Chemical Properties of Benzo[c]thiophene, 1,3-dihydro- (CAS 2471-92-3)

InChI

InChI=1S/C8H8S/c1-2-4-8-6-9-5-7(8)3-1/h1-4H,5-6H2

InChI Key

KVRZARWOKBNZMM-UHFFFAOYSA-N

Formula

C8H8S

SMILES

c1ccc2c(c1)CSC2

Molecular Weight¹

136.21

CAS

2471-92-3

Other Names

• o-Xylylene sulfide
• 1,3-Dihydrobenzo[c]thiophene
• Dihydrobenzo(c)thiophene

• 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°	227.58	kJ/mol	Joback Calculated Property
ΔfH°gas	155.01	kJ/mol	Joback Calculated Property
ΔfusH°	10.85	kJ/mol	Joback Calculated Property
ΔvapH°	42.37	kJ/mol	Joback Calculated Property
IE	[8.30; 8.51]	eV
IE	8.30	eV	NIST
IE	8.51	eV	NIST
log10WS	-3.01		Crippen Calculated Property
logPoct/wat	2.433		Crippen Calculated Property
McVol	105.310	ml/mol	McGowan Calculated Property
Pc	4368.40	kPa	Joback Calculated Property
Tboil	473.34	K	Joback Calculated Property
Tc	719.97	K	Joback Calculated Property
Tfus	324.49	K	Joback Calculated Property
Vc	0.380	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[201.81; 265.23]	J/mol×K	[473.34; 719.97]
Cp,gas	201.81	J/mol×K	473.34	Joback Calculated Property
Cp,gas	214.85	J/mol×K	514.44	Joback Calculated Property
Cp,gas	226.78	J/mol×K	555.55	Joback Calculated Property
Cp,gas	237.69	J/mol×K	596.65	Joback Calculated Property
Cp,gas	247.68	J/mol×K	637.76	Joback Calculated Property
Cp,gas	256.83	J/mol×K	678.86	Joback Calculated Property
Cp,gas	265.23	J/mol×K	719.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzo[c]thiophene, 1,3-dihydro-.

Sources

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

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