Chemical Properties of 2-(ISOPROPYLTHIO)ETHANOL

InChI

InChI=1S/C5H12OS/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3

InChI Key

QGONIKZRWOOHBB-UHFFFAOYSA-N

Formula

C5H12OS

SMILES

CC(C)SCCO

Molecular Weight¹

120.22

Other Names

• Ethanol, 2-[(1-methylethyl)thio]-
• 2-[(1-methylethyl)thio]ethanol

• 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	[144.24; 323.08]	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			2.15520e+01
Coefficient B			5.13130e-01
Coefficient C			-2.41600e-04
Coefficient D			3.00000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	144.24	J/mol×K	273.00	Calculated Property
Cp,gas	174.18	J/mol×K	353.78	Calculated Property
Cp,gas	201.37	J/mol×K	434.56	Calculated Property
Cp,gas	225.93	J/mol×K	515.33	Calculated Property
Cp,gas	247.94	J/mol×K	596.11	Calculated Property
Cp,gas	267.49	J/mol×K	676.89	Calculated Property
Cp,gas	284.69	J/mol×K	757.67	Calculated Property
Cp,gas	299.62	J/mol×K	838.44	Calculated Property
Cp,gas	312.39	J/mol×K	919.22	Calculated Property
Cp,gas	323.08	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-(ISOPROPYLTHIO)ETHANOL.

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.
These property values are available through the Cheméo API. A free account gives you an access key.