Chemical Properties of Phenyl propargyl sulfone (CAS 2525-40-8)

InChI

InChI=1S/C9H8O2S/c1-2-8-12(10,11)9-6-4-3-5-7-9/h1,3-7H,8H2

InChI Key

XRZMPJGMAIXQRM-UHFFFAOYSA-N

Formula

C9H8O2S

SMILES

C#CCS(=O)(=O)c1ccccc1

Molecular Weight¹

180.22

CAS

2525-40-8

• 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	[259.55; 325.09]	J/mol×K	[469.90; 686.02]
Cp,gas	259.55	J/mol×K	469.90	Joback Calculated Property
Cp,gas	272.42	J/mol×K	505.92	Joback Calculated Property
Cp,gas	284.48	J/mol×K	541.94	Joback Calculated Property
Cp,gas	295.76	J/mol×K	577.96	Joback Calculated Property
Cp,gas	306.27	J/mol×K	613.98	Joback Calculated Property
Cp,gas	316.04	J/mol×K	650.00	Joback Calculated Property
Cp,gas	325.09	J/mol×K	686.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenyl propargyl sulfone.

Sources

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

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