Chemical Properties of (E) t-Butyl-1-propenylsulfide (CAS 61866-00-0)

InChI

InChI=1S/C7H14S/c1-5-6-8-7(2,3)4/h5-6H,1-4H3/b6-5+

InChI Key

NXPJZODHTFSBSK-AATRIKPKSA-N

Formula

C7H14S

SMILES

CC=CSC(C)(C)C

Molecular Weight¹

130.25

CAS

61866-00-0

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[232.26; 303.66]	J/mol×K	[429.27; 639.64]
Cp,gas	232.26	J/mol×K	429.27	Joback Calculated Property
Cp,gas	246.13	J/mol×K	464.33	Joback Calculated Property
Cp,gas	259.16	J/mol×K	499.39	Joback Calculated Property
Cp,gas	271.39	J/mol×K	534.46	Joback Calculated Property
Cp,gas	282.85	J/mol×K	569.52	Joback Calculated Property
Cp,gas	293.59	J/mol×K	604.58	Joback Calculated Property
Cp,gas	303.66	J/mol×K	639.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E) t-Butyl-1-propenylsulfide.

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

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