Chemical Properties of Thiocyclohexane, 4-ethylidene

InChI

InChI=1S/C7H12S/c1-2-7-3-5-8-6-4-7/h2H,3-6H2,1H3

InChI Key

RGDMLMSSMCUUCY-UHFFFAOYSA-N

Formula

C7H12S

SMILES

CC=C1CCSCC1

Molecular Weight¹

128.24

• 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°	125.54	kJ/mol	Joback Calculated Property
ΔfH°gas	8.14	kJ/mol	Joback Calculated Property
ΔfusH°	8.63	kJ/mol	Joback Calculated Property
ΔvapH°	38.51	kJ/mol	Joback Calculated Property
log10WS	-2.38		Crippen Calculated Property
logPoct/wat	2.460		Crippen Calculated Property
McVol	110.680	ml/mol	McGowan Calculated Property
Pc	3768.41	kPa	Joback Calculated Property
Inp	1047.00		NIST
I	[1334.00; 1334.00]
I	1334.00		NIST
I	1334.00		NIST
Tboil	438.25	K	Joback Calculated Property
Tc	666.68	K	Joback Calculated Property
Tfus	274.08	K	Joback Calculated Property
Vc	0.391	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[206.25; 282.63]	J/mol×K	[438.25; 666.68]
Cp,gas	206.25	J/mol×K	438.25	Joback Calculated Property
Cp,gas	221.09	J/mol×K	476.32	Joback Calculated Property
Cp,gas	235.03	J/mol×K	514.39	Joback Calculated Property
Cp,gas	248.12	J/mol×K	552.46	Joback Calculated Property
Cp,gas	260.39	J/mol×K	590.53	Joback Calculated Property
Cp,gas	271.88	J/mol×K	628.61	Joback Calculated Property
Cp,gas	282.63	J/mol×K	666.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Thiocyclohexane, 4-ethylidene.

Sources

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

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