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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	125.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-22.29	kJ/mol	Joback Calculated Property
ΔfusH°	9.91	kJ/mol	Joback Calculated Property
ΔvapH°	40.82	kJ/mol	Joback Calculated Property
log10WS	-2.80		Crippen Calculated Property
logPoct/wat	2.850		Crippen Calculated Property
McVol	124.770	ml/mol	McGowan Calculated Property
Pc	3380.21	kPa	Joback Calculated Property
Inp	1121.00		NIST
I	[1384.00; 1384.00]
I	1384.00		NIST
I	1384.00		NIST
Tboil	461.01	K	Joback Calculated Property
Tc	690.65	K	Joback Calculated Property
Tfus	271.39	K	Joback Calculated Property
Vc	0.448	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[247.68; 331.46]	J/mol×K	[461.01; 690.65]
Cp,gas	247.68	J/mol×K	461.01	Joback Calculated Property
Cp,gas	263.97	J/mol×K	499.28	Joback Calculated Property
Cp,gas	279.26	J/mol×K	537.56	Joback Calculated Property
Cp,gas	293.62	J/mol×K	575.83	Joback Calculated Property
Cp,gas	307.07	J/mol×K	614.10	Joback Calculated Property
Cp,gas	319.67	J/mol×K	652.38	Joback Calculated Property
Cp,gas	331.46	J/mol×K	690.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to Thiocyclohexane, 4-isopropylidene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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