Chemical Properties of 2-(Phenylthio)ethanol (CAS 699-12-7)

InChI

InChI=1S/C8H10OS/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2

InChI Key

KWWZHCSQVRVQGF-UHFFFAOYSA-N

Formula

C8H10OS

SMILES

OCCSc1ccccc1

Molecular Weight¹

154.23

CAS

699-12-7

Other Names

• 2-Hydroxyethyl phenyl sulfide
• Ethanol, 2-(phenylthio)-
• Phenylthioethanol

• 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	[150.94; 358.79]	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			-1.33980e+01
Coefficient B			7.13290e-01
Coefficient C			-4.32800e-04
Coefficient D			9.17000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	150.94	J/mol×K	273.00	Calculated Property
Cp,gas	188.84	J/mol×K	353.78	Calculated Property
Cp,gas	222.36	J/mol×K	434.56	Calculated Property
Cp,gas	251.80	J/mol×K	515.33	Calculated Property
Cp,gas	277.43	J/mol×K	596.11	Calculated Property
Cp,gas	299.56	J/mol×K	676.89	Calculated Property
Cp,gas	318.47	J/mol×K	757.67	Calculated Property
Cp,gas	334.45	J/mol×K	838.44	Calculated Property
Cp,gas	347.80	J/mol×K	919.22	Calculated Property
Cp,gas	358.79	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-(Phenylthio)ethanol.

Sources

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

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