Chemical Properties of 2-Methyl-5-phenyl-6a-thiathiophthene (CAS 1016-98-4)

InChI

InChI=1S/C12H10S3/c1-9-7-11-8-12(14-15(11)13-9)10-5-3-2-4-6-10/h2-8H,1H3

InChI Key

PLHURWKLVJJSMF-UHFFFAOYSA-N

Formula

C12H10S3

SMILES

CC1=CC2=S(S1)SC(c1ccccc1)=C2

Molecular Weight¹

250.40

CAS

1016-98-4

• 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	[406.68; 475.73]	J/mol×K	[689.03; 990.51]
Cp,gas	406.68	J/mol×K	689.03	Joback Calculated Property
Cp,gas	421.17	J/mol×K	739.28	Joback Calculated Property
Cp,gas	434.26	J/mol×K	789.52	Joback Calculated Property
Cp,gas	446.10	J/mol×K	839.77	Joback Calculated Property
Cp,gas	456.86	J/mol×K	890.02	Joback Calculated Property
Cp,gas	466.68	J/mol×K	940.26	Joback Calculated Property
Cp,gas	475.73	J/mol×K	990.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-5-phenyl-6a-thiathiophthene.

Sources

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

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