Chemical Properties of 1,2,4,6-Tetrathiepane, 3,5,7-trimethyl, #3

InChI

InChI=1S/C6H12S4/c1-4-7-5(2)9-10-6(3)8-4/h4-6H,1-3H3

InChI Key

WMWRKEXBIGLGBW-UHFFFAOYSA-N

Formula

C6H12S4

SMILES

CC1SSC(C)SC(C)S1

Molecular Weight¹

212.42

• 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	0.2515		Relay (... Calculated Property
ΔfG°	156.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-72.47	kJ/mol	Relay (... Calculated Property
ΔfusH°	17.80	kJ/mol	Joback Calculated Property
ΔvapH°	76.87	kJ/mol	Relay (... Calculated Property
IE	8.23	eV	Relay (... Calculated Property
log10WS	-2.88		Relay (... Calculated Property
logPoct/wat	3.886		Crippen Calculated Property
McVol	149.940	ml/mol	McGowan Calculated Property
Pc	3655.35	kPa	Joback Calculated Property
Inp	[1538.00; 1538.00]
Inp	1538.00		NIST
Inp	1538.00		NIST
Tboil	546.10	K	Relay (... Calculated Property
Tc	773.35	K	Relay (... Calculated Property
Tfus	353.57	K	Relay (... Calculated Property
Vc	0.493	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[315.07; 400.73]	J/mol×K	[542.48; 821.95]
Cp,gas	315.07	J/mol×K	542.48	Joback Calculated Property
Cp,gas	332.22	J/mol×K	589.06	Joback Calculated Property
Cp,gas	348.20	J/mol×K	635.64	Joback Calculated Property
Cp,gas	363.03	J/mol×K	682.22	Joback Calculated Property
Cp,gas	376.73	J/mol×K	728.79	Joback Calculated Property
Cp,gas	389.29	J/mol×K	775.37	Joback Calculated Property
Cp,gas	400.73	J/mol×K	821.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4,6-Tetrathiepane, 3,5,7-trimethyl, #3.

Sources

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

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