Chemical Properties of 2-Butene, 1-[(1-methylethyl)thio]-, (Z)- (CAS 88915-94-0)

InChI

InChI=1S/C7H14S/c1-4-5-6-8-7(2)3/h4-5,7H,6H2,1-3H3/b5-4-

InChI Key

NBTBAEQTCSNSGX-PLNGDYQASA-N

Formula

C7H14S

SMILES

CC=CCSC(C)C

Molecular Weight¹

130.25

CAS

88915-94-0

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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, Enthalpy of formation at standard conditions, 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	[160.16; 377.01]	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			2.61000e-01
Coefficient B			6.89150e-01
Coefficient C			-4.03800e-04
Coefficient D			9.14000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.16	J/mol×K	273.00	Calculated Property
Cp,gas	197.57	J/mol×K	353.78	Calculated Property
Cp,gas	230.98	J/mol×K	434.56	Calculated Property
Cp,gas	260.68	J/mol×K	515.33	Calculated Property
Cp,gas	286.94	J/mol×K	596.11	Calculated Property
Cp,gas	310.07	J/mol×K	676.89	Calculated Property
Cp,gas	330.36	J/mol×K	757.67	Calculated Property
Cp,gas	348.08	J/mol×K	838.44	Calculated Property
Cp,gas	363.54	J/mol×K	919.22	Calculated Property
Cp,gas	377.01	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butene, 1-[(1-methylethyl)thio]-, (Z)-.

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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