Chemical Properties of 4,4-dimethyl-thiacyclohexane

InChI

InChI=1S/C7H14S/c1-7(2)3-5-8-6-4-7/h3-6H2,1-2H3

InChI Key

NNRCVPAIZQYQRX-UHFFFAOYSA-N

Formula

C7H14S

SMILES

CC1(C)CCSCC1

Molecular Weight¹

130.25

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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.
• 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
ω	0.2225		Relay (1.0) Calculated Property
ΔfG°	66.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-104.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	3.08	kJ/mol	Joback Calculated Property
ΔvapH°	46.77	kJ/mol	Relay (1.0) Calculated Property
IE	8.54	eV	Relay (1.0) Calculated Property
log10WS	-2.56		Relay (1.0) Calculated Property
logPoct/wat	2.540		Crippen Calculated Property
McVol	114.980	ml/mol	McGowan Calculated Property
Pc	3690.97	kPa	Joback Calculated Property
Inp	[1008.00; 1008.00]
Inp	1008.00		NIST
Inp	1008.00		NIST
Tboil	436.55	K	Relay (1.0) Calculated Property
Tc	645.18	K	Relay (1.0) Calculated Property
Tfus	266.91	K	Relay (1.0) Calculated Property
Vc	0.385	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[221.23; 306.79]	J/mol×K	[427.18; 657.02]
Cp,gas	221.23	J/mol×K	427.18	Joback Calculated Property
Cp,gas	238.33	J/mol×K	465.49	Joback Calculated Property
Cp,gas	254.12	J/mol×K	503.79	Joback Calculated Property
Cp,gas	268.73	J/mol×K	542.10	Joback Calculated Property
Cp,gas	282.29	J/mol×K	580.41	Joback Calculated Property
Cp,gas	294.94	J/mol×K	618.71	Joback Calculated Property
Cp,gas	306.79	J/mol×K	657.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4,4-dimethyl-thiacyclohexane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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