Chemical Properties of 4-Iodothioanisole

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[136.85; 294.66]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			8.21000e+00
Coefficient B			5.63810e-01
Coefficient C			-3.62360e-04
Coefficient D			8.50000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	136.85	J/mol×K	273.00	Calculated Property
Cp,gas	166.08	J/mol×K	353.78	Calculated Property
Cp,gas	191.76	J/mol×K	434.56	Calculated Property
Cp,gas	214.16	J/mol×K	515.33	Calculated Property
Cp,gas	233.54	J/mol×K	596.11	Calculated Property
Cp,gas	250.18	J/mol×K	676.89	Calculated Property
Cp,gas	264.34	J/mol×K	757.67	Calculated Property
Cp,gas	276.30	J/mol×K	838.44	Calculated Property
Cp,gas	286.31	J/mol×K	919.22	Calculated Property
Cp,gas	294.66	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-Iodothioanisole.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.