Chemical Properties of 4-Iodothioanisole (CAS 35371-03-0)

InChI

InChI=1S/C7H7IS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3

InChI Key

VGQFOKHFPSTYJY-UHFFFAOYSA-N

Formula

C7H7IS

SMILES

CSc1ccc(I)cc1

Molecular Weight¹

250.10

CAS

35371-03-0

• 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	[223.59; 275.21]	J/mol×K	[553.14; 830.50]
Cp,gas	223.59	J/mol×K	553.14	Joback Calculated Property
Cp,gas	234.27	J/mol×K	599.37	Joback Calculated Property
Cp,gas	244.05	J/mol×K	645.59	Joback Calculated Property
Cp,gas	252.98	J/mol×K	691.82	Joback Calculated Property
Cp,gas	261.12	J/mol×K	738.05	Joback Calculated Property
Cp,gas	268.51	J/mol×K	784.28	Joback Calculated Property
Cp,gas	275.21	J/mol×K	830.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Iodothioanisole.

Sources

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

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