Chemical Properties of 4-CH3S-C6H4-CCH (CAS 56041-85-1)

InChI

InChI=1S/C9H8S/c1-3-8-4-6-9(10-2)7-5-8/h1,4-7H,2H3

InChI Key

LLDBWBLRNOTXLL-UHFFFAOYSA-N

Formula

C9H8S

SMILES

C#Cc1ccc(SC)cc1

Molecular Weight¹

148.22

CAS

56041-85-1

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• 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	[232.18; 293.35]	J/mol×K	[495.88; 746.36]
Cp,gas	232.18	J/mol×K	495.88	Joback Calculated Property
Cp,gas	244.38	J/mol×K	537.63	Joback Calculated Property
Cp,gas	255.73	J/mol×K	579.37	Joback Calculated Property
Cp,gas	266.26	J/mol×K	621.12	Joback Calculated Property
Cp,gas	276.02	J/mol×K	662.87	Joback Calculated Property
Cp,gas	285.03	J/mol×K	704.62	Joback Calculated Property
Cp,gas	293.35	J/mol×K	746.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-CH3S-C6H4-CCH.

Sources

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

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