Chemical Properties of 1,2,4-Trithiolane, 3,3,5,5-tetramethyl- (CAS 38348-31-1)

InChI

InChI=1S/C6H12S3/c1-5(2)7-6(3,4)9-8-5/h1-4H3

InChI Key

XFOWPRWOLKTTSD-UHFFFAOYSA-N

Formula

C6H12S3

SMILES

CC1(C)SSC(C)(C)S1

Molecular Weight¹

180.35

CAS

38348-31-1

Other Names

• 3,3,5,5-Tetramethyl-1,2,4-trithiolane
• 1,2,4-Trithiolane, tetramethyl-

• 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.
• 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°	137.08	kJ/mol	Joback Calculated Property
ΔfH°gas	39.23	kJ/mol	Joback Calculated Property
ΔfusH°	4.68	kJ/mol	Joback Calculated Property
ΔvapH°	44.03	kJ/mol	Joback Calculated Property
IE	[8.10; 8.12]	eV
IE	8.10 ± 0.20	eV	NIST
IE	8.12	eV	NIST
log10WS	-4.08		Crippen Calculated Property
logPoct/wat	3.587		Crippen Calculated Property
McVol	133.590	ml/mol	McGowan Calculated Property
Pc	4031.24	kPa	Joback Calculated Property
Inp	[1233.00; 1233.00]
Inp	1233.00		NIST
Inp	1233.00		NIST
I	[1651.00; 1651.00]
I	1651.00		NIST
I	1651.00		NIST
Tboil	491.26	K	Joback Calculated Property
Tc	759.22	K	Joback Calculated Property
Tfus	462.19	K	Joback Calculated Property
Vc	0.446	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[271.26; 341.40]	J/mol×K	[491.26; 759.22]
Cp,gas	271.26	J/mol×K	491.26	Joback Calculated Property
Cp,gas	285.51	J/mol×K	535.92	Joback Calculated Property
Cp,gas	298.24	J/mol×K	580.58	Joback Calculated Property
Cp,gas	309.82	J/mol×K	625.24	Joback Calculated Property
Cp,gas	320.63	J/mol×K	669.90	Joback Calculated Property
Cp,gas	331.03	J/mol×K	714.56	Joback Calculated Property
Cp,gas	341.40	J/mol×K	759.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4-Trithiolane, 3,3,5,5-tetramethyl-.

Sources

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

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