Chemical Properties of 1,2,4-Trithiolane, 3,5-bis-(1-methylethyl), #1

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

• 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°	160.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-43.09	kJ/mol	Joback Calculated Property
ΔfusH°	15.41	kJ/mol	Joback Calculated Property
ΔvapH°	50.01	kJ/mol	Joback Calculated Property
log10WS	-4.44		Crippen 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	[1441.00; 1444.00]
Inp	1441.00		NIST
Inp	1444.00		NIST
Inp	1441.00		NIST
I	[1775.00; 1775.00]
I	1775.00		NIST
I	1775.00		NIST
Tboil	535.66	K	Joback Calculated Property
Tc	782.11	K	Joback Calculated Property
Tfus	406.93	K	Joback Calculated Property
Vc	0.549	m3/kmol	Joback 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), #1.

Sources

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

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