Chemical Properties of 1H-2-Benzothiopyran, 3,4-dihydro- (CAS 4426-75-9)

InChI

InChI=1S/C9H10S/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4H,5-7H2

InChI Key

ZZQUQFZVCJWSER-UHFFFAOYSA-N

Formula

C9H10S

SMILES

c1ccc2c(c1)CCSC2

Molecular Weight¹

150.24

CAS

4426-75-9

Other Names

• Isothiochroman
• Thioisochroman
• 3,4-Dihydro-1H-2-benzothiopyran

• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[243.01; 317.39]	J/mol×K	[500.49; 752.24]
Cp,gas	243.01	J/mol×K	500.49	Joback Calculated Property
Cp,gas	258.17	J/mol×K	542.45	Joback Calculated Property
Cp,gas	272.10	J/mol×K	584.41	Joback Calculated Property
Cp,gas	284.90	J/mol×K	626.37	Joback Calculated Property
Cp,gas	296.65	J/mol×K	668.33	Joback Calculated Property
Cp,gas	307.45	J/mol×K	710.28	Joback Calculated Property
Cp,gas	317.39	J/mol×K	752.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1H-2-Benzothiopyran, 3,4-dihydro-.

Sources

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

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