Chemical Properties of (E) Isopropyl-1-propenylsulfide (CAS 61865-99-4)

InChI

InChI=1S/C6H12S/c1-4-5-7-6(2)3/h4-6H,1-3H3/b5-4+

InChI Key

IZLJYHRILGAGIM-SNAWJCMRSA-N

Formula

C6H12S

SMILES

CC=CSC(C)C

Molecular Weight¹

116.22

CAS

61865-99-4

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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, 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	[138.95; 325.42]	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			1.17000e+00
Coefficient B			5.94150e-01
Coefficient C			-3.49400e-04
Coefficient D			7.95000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.95	J/mol×K	273.00	Calculated Property
Cp,gas	171.16	J/mol×K	353.78	Calculated Property
Cp,gas	199.90	J/mol×K	434.56	Calculated Property
Cp,gas	225.45	J/mol×K	515.33	Calculated Property
Cp,gas	248.03	J/mol×K	596.11	Calculated Property
Cp,gas	267.91	J/mol×K	676.89	Calculated Property
Cp,gas	285.34	J/mol×K	757.67	Calculated Property
Cp,gas	300.57	J/mol×K	838.44	Calculated Property
Cp,gas	313.84	J/mol×K	919.22	Calculated Property
Cp,gas	325.42	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to (E) Isopropyl-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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