Chemical Properties of Ethyl 2-hydroxybenzyl sulfide

InChI

InChI=1S/C9H12OS/c1-2-11-7-8-5-3-4-6-9(8)10/h3-6,10H,2,7H2,1H3

InChI Key

QZBBPVLBIUUYRH-UHFFFAOYSA-N

Formula

C9H12OS

SMILES

CCSCc1ccccc1O

Molecular Weight¹

168.26

Other Names

• «alpha»-(ethylthio)-o-cresol

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Pressure, 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	[176.54; 414.13]	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			-2.85180e+01
Coefficient B			9.28910e-01
Coefficient C			-7.13160e-04
Coefficient D			2.26900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	176.54	J/mol×K	273.00	Calculated Property
Cp,gas	220.90	J/mol×K	353.78	Calculated Property
Cp,gas	259.09	J/mol×K	434.56	Calculated Property
Cp,gas	291.84	J/mol×K	515.33	Calculated Property
Cp,gas	319.86	J/mol×K	596.11	Calculated Property
Cp,gas	343.87	J/mol×K	676.89	Calculated Property
Cp,gas	364.58	J/mol×K	757.67	Calculated Property
Cp,gas	382.72	J/mol×K	838.44	Calculated Property
Cp,gas	398.99	J/mol×K	919.22	Calculated Property
Cp,gas	414.13	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 2-hydroxybenzyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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