Chemical Properties of 1,2,4-Trithiolane, 3,5-bis(1-methylethyl)- (CAS 54934-99-5)

InChI

InChI=1S/C8H16S3/c1-5(2)7-9-8(6(3)4)11-10-7/h5-8H,1-4H3

InChI Key

QCTAPVCDZUSECS-UHFFFAOYSA-N

Formula

C8H16S3

SMILES

CC(C)C1SSC(C(C)C)S1

Molecular Weight¹

208.41

CAS

54934-99-5

Other Names

• 3,5-Diisopropyl-1,2,4-trithiolane
• 1,2,4-Trithiolane, 3,5-bis-(1-methylethyl), #2

• 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.
• 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
ω	0.3055		Relay (... Calculated Property
ΔfG°	160.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-78.67	kJ/mol	Relay (... Calculated Property
ΔfusH°	15.41	kJ/mol	Joback Calculated Property
ΔvapH°	71.20	kJ/mol	Relay (... Calculated Property
IE	8.12	eV	Relay (... Calculated Property
log10WS	-4.37		Relay (... Calculated Property
logPoct/wat	4.079		Crippen Calculated Property
McVol	161.770	ml/mol	McGowan Calculated Property
Pc	2950.48	kPa	Joback Calculated Property
Inp	[1448.00; 1451.00]
Inp	1448.00		NIST
Inp	1451.00		NIST
Inp	1448.00		NIST
I	[1784.00; 1784.00]
I	1784.00		NIST
I	1784.00		NIST
Tboil	539.83	K	Relay (... Calculated Property
Tc	739.01	K	Relay (... Calculated Property
Tfus	356.61	K	Relay (... Calculated Property
Vc	0.556	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[360.09; 449.74]	J/mol×K	[535.66; 782.11]
Cp,gas	360.09	J/mol×K	535.66	Joback Calculated Property
Cp,gas	377.71	J/mol×K	576.73	Joback Calculated Property
Cp,gas	394.19	J/mol×K	617.81	Joback Calculated Property
Cp,gas	409.59	J/mol×K	658.88	Joback Calculated Property
Cp,gas	423.94	J/mol×K	699.96	Joback Calculated Property
Cp,gas	437.31	J/mol×K	741.03	Joback Calculated Property
Cp,gas	449.74	J/mol×K	782.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4-Trithiolane, 3,5-bis(1-methylethyl)-.

Sources

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

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