Chemical Properties of Allylphenyl sulfide (CAS 5296-64-0)

InChI

InChI=1S/C9H10S/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1,8H2

InChI Key

QGNRLAFFKKBSIM-UHFFFAOYSA-N

Formula

C9H10S

SMILES

C=CCSc1ccccc1

Molecular Weight¹

150.24

CAS

5296-64-0

Other Names

• (Allylthio)benzene
• 3-(Phenylthio)prop-1-ene
• 3-(Phenylthio)propene
• Allyl phenyl thioether
• Benzene, (2-propenylthio)-
• Phenyl allyl sulfide
• Phenyl allyl thioether
• Sulfide, allyl phenyl

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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 Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[149.84; 363.20]	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			-2.25890e+01
Coefficient B			7.54290e-01
Coefficient C			-4.79700e-04
Coefficient D			1.11200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	149.84	J/mol×K	273.00	Calculated Property
Cp,gas	189.15	J/mol×K	353.78	Calculated Property
Cp,gas	223.73	J/mol×K	434.56	Calculated Property
Cp,gas	253.95	J/mol×K	515.33	Calculated Property
Cp,gas	280.15	J/mol×K	596.11	Calculated Property
Cp,gas	302.68	J/mol×K	676.89	Calculated Property
Cp,gas	321.90	J/mol×K	757.67	Calculated Property
Cp,gas	338.16	J/mol×K	838.44	Calculated Property
Cp,gas	351.81	J/mol×K	919.22	Calculated Property
Cp,gas	363.20	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Allylphenyl sulfide.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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