Chemical Properties of Benzo[c]thiophene, 1,3,3a,4,7,7a-hexahydro- (CAS 74601-20-0)

InChI

InChI=1S/C8H12S/c1-2-4-8-6-9-5-7(8)3-1/h1-2,7-8H,3-6H2

InChI Key

ASTZLIXTXJMRFI-UHFFFAOYSA-N

Formula

C8H12S

SMILES

C1=CCC2CSCC2C1

Molecular Weight¹

140.25

CAS

74601-20-0

Other Names

• 8-Thiabicyclo[4.3.0]non-3-ene

• 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°	171.50	kJ/mol	Joback Calculated Property
ΔfH°gas	21.71	kJ/mol	Joback Calculated Property
ΔfusH°	11.32	kJ/mol	Joback Calculated Property
ΔvapH°	39.85	kJ/mol	Joback Calculated Property
IE	[8.00; 8.22]	eV
IE	8.00	eV	NIST
IE	8.22	eV	NIST
log10WS	-2.21		Crippen Calculated Property
logPoct/wat	2.316		Crippen Calculated Property
McVol	113.910	ml/mol	McGowan Calculated Property
Pc	3805.69	kPa	Joback Calculated Property
Tboil	455.72	K	Joback Calculated Property
Tc	693.67	K	Joback Calculated Property
Tfus	289.45	K	Joback Calculated Property
Vc	0.406	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.16; 322.68]	J/mol×K	[455.72; 693.67]
Cp,gas	233.16	J/mol×K	455.72	Joback Calculated Property
Cp,gas	251.07	J/mol×K	495.38	Joback Calculated Property
Cp,gas	267.68	J/mol×K	535.04	Joback Calculated Property
Cp,gas	283.07	J/mol×K	574.70	Joback Calculated Property
Cp,gas	297.31	J/mol×K	614.36	Joback Calculated Property
Cp,gas	310.49	J/mol×K	654.01	Joback Calculated Property
Cp,gas	322.68	J/mol×K	693.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzo[c]thiophene, 1,3,3a,4,7,7a-hexahydro-.

Sources

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

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