Chemical Properties of Sulfide, t-butyl-2-chloroethyl

InChI

InChI=1S/C6H13ClS/c1-6(2,3)8-5-4-7/h4-5H2,1-3H3

InChI Key

FTZZXHJHQHXYRA-UHFFFAOYSA-N

Formula

C6H13ClS

SMILES

CC(C)(C)SCCCl

Molecular Weight¹

152.69

• 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).
• 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, Ionization energy, 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	[165.21; 365.20]	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			5.45200e+00
Coefficient B			7.00850e-01
Coefficient C			-4.54600e-04
Coefficient D			1.13500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	165.21	J/mol×K	273.00	Calculated Property
Cp,gas	201.53	J/mol×K	353.78	Calculated Property
Cp,gas	233.48	J/mol×K	434.56	Calculated Property
Cp,gas	261.43	J/mol×K	515.33	Calculated Property
Cp,gas	285.74	J/mol×K	596.11	Calculated Property
Cp,gas	306.76	J/mol×K	676.89	Calculated Property
Cp,gas	324.86	J/mol×K	757.67	Calculated Property
Cp,gas	340.40	J/mol×K	838.44	Calculated Property
Cp,gas	353.72	J/mol×K	919.22	Calculated Property
Cp,gas	365.20	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Sulfide, t-butyl-2-chloroethyl.

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