Chemical Properties of Thiocyclohexane, 4-isopropylidene

InChI

InChI=1S/C8H14S/c1-7(2)8-3-5-9-6-4-8/h3-6H2,1-2H3

InChI Key

PQJVJPZYCLILFJ-UHFFFAOYSA-N

Formula

C8H14S

SMILES

CC(C)=C1CCSCC1

Molecular Weight¹

142.26

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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

Property	Value	Unit	Source
ΔfH°gas	10.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.91	kJ/mol	Joback Calculated Property
ΔvapH°	57.24	kJ/mol	Relay (1.0) Calculated Property
IE	8.26	eV	Relay (1.0) Calculated Property
logPoct/wat	2.850		Crippen Calculated Property
McVol	124.770	ml/mol	McGowan Calculated Property
Inp	1121.00		NIST
I	[1384.00; 1384.00]
I	1384.00		NIST
I	1384.00		NIST
Tboil	474.17	K	Relay (1.0) Calculated Property
Tfus	262.97	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[247.77; 331.55]	J/mol×K	[461.21; 690.95]
Cp,gas	247.77	J/mol×K	461.21	Joback Calculated Property
Cp,gas	264.06	J/mol×K	499.50	Joback Calculated Property
Cp,gas	279.35	J/mol×K	537.79	Joback Calculated Property
Cp,gas	293.71	J/mol×K	576.08	Joback Calculated Property
Cp,gas	307.16	J/mol×K	614.37	Joback Calculated Property
Cp,gas	319.76	J/mol×K	652.66	Joback Calculated Property
Cp,gas	331.55	J/mol×K	690.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to Thiocyclohexane, 4-isopropylidene.

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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