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

InChI

InChI=1S/C6H12S3/c1-4(2)6-7-5(3)8-9-6/h4-6H,1-3H3

InChI Key

CUDHDMODFNKPPK-UHFFFAOYSA-N

Formula

C6H12S3

SMILES

CC1SSC(C(C)C)S1

Molecular Weight¹

180.35

• 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.
• 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°	145.62	kJ/mol	Joback Calculated Property
ΔfH°gas	3.47	kJ/mol	Joback Calculated Property
ΔfusH°	13.75	kJ/mol	Joback Calculated Property
ΔvapH°	45.95	kJ/mol	Joback Calculated Property
log10WS	-3.84		Crippen Calculated Property
logPoct/wat	3.443		Crippen Calculated Property
McVol	133.590	ml/mol	McGowan Calculated Property
Pc	3642.13	kPa	Joback Calculated Property
Inp	[1285.00; 1286.00]
Inp	1285.00		NIST
Inp	1286.00		NIST
Inp	1285.00		NIST
Tboil	490.34	K	Joback Calculated Property
Tc	740.91	K	Joback Calculated Property
Tfus	399.39	K	Joback Calculated Property
Vc	0.444	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[270.89; 347.62]	J/mol×K	[490.34; 740.91]
Cp,gas	270.89	J/mol×K	490.34	Joback Calculated Property
Cp,gas	285.96	J/mol×K	532.10	Joback Calculated Property
Cp,gas	300.07	J/mol×K	573.86	Joback Calculated Property
Cp,gas	313.24	J/mol×K	615.63	Joback Calculated Property
Cp,gas	325.53	J/mol×K	657.39	Joback Calculated Property
Cp,gas	336.98	J/mol×K	699.15	Joback Calculated Property
Cp,gas	347.62	J/mol×K	740.91	Joback Calculated Property

Similar Compounds

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

Sources

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

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