Chemical Properties of 8-Methylene-cis-3-thiabicyclo[4.4.0]decane (CAS 77471-74-0)

InChI

InChI=1S/C10H16S/c1-8-2-3-10-7-11-5-4-9(10)6-8/h9-10H,1-7H2/t9-,10-/m0/s1

InChI Key

WQEZQTRTRLMBTM-UWVGGRQHSA-N

Formula

C10H16S

SMILES

C=C1CCC2CSCCC2C1

Molecular Weight¹

168.30

CAS

77471-74-0

• 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	[172.21; 496.25]	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			-8.30600e+01
Coefficient B			1.11411e+00
Coefficient C			-7.01300e-04
Coefficient D			1.66500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	172.21	J/mol×K	273.00	Calculated Property
Cp,gas	230.69	J/mol×K	353.78	Calculated Property
Cp,gas	282.31	J/mol×K	434.56	Calculated Property
Cp,gas	327.62	J/mol×K	515.33	Calculated Property
Cp,gas	367.14	J/mol×K	596.11	Calculated Property
Cp,gas	401.39	J/mol×K	676.89	Calculated Property
Cp,gas	430.89	J/mol×K	757.67	Calculated Property
Cp,gas	456.19	J/mol×K	838.44	Calculated Property
Cp,gas	477.80	J/mol×K	919.22	Calculated Property
Cp,gas	496.25	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 8-Methylene-cis-3-thiabicyclo[4.4.0]decane.

Sources

• 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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