Chemical Properties of 3,5-Diethyl-[1,2,4]trithiolane, stereoisomer 1

InChI

InChI=1S/C6H12S3/c1-3-5-7-6(4-2)9-8-5/h5-6H,3-4H2,1-2H3

InChI Key

WQXXXHMEBYGSBG-UHFFFAOYSA-N

Formula

C6H12S3

SMILES

CCC1SSC(CC)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 : 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°	148.06	kJ/mol	Joback Calculated Property
ΔfH°gas	8.75	kJ/mol	Joback Calculated Property
ΔfusH°	17.27	kJ/mol	Joback Calculated Property
ΔvapH°	46.33	kJ/mol	Joback Calculated Property
log10WS	-4.08		Crippen Calculated Property
logPoct/wat	3.587		Crippen Calculated Property
McVol	133.590	ml/mol	McGowan Calculated Property
Pc	3607.21	kPa	Joback Calculated Property
I	[1684.00; 1684.00]
I	1684.00		NIST
I	1684.00		NIST
Tboil	490.78	K	Joback Calculated Property
Tc	735.25	K	Joback Calculated Property
Tfus	414.39	K	Joback Calculated Property
Vc	0.450	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[270.66; 345.48]	J/mol×K	[490.78; 735.25]
Cp,gas	270.66	J/mol×K	490.78	Joback Calculated Property
Cp,gas	285.28	J/mol×K	531.52	Joback Calculated Property
Cp,gas	298.98	J/mol×K	572.27	Joback Calculated Property
Cp,gas	311.82	J/mol×K	613.01	Joback Calculated Property
Cp,gas	323.82	J/mol×K	653.76	Joback Calculated Property
Cp,gas	335.02	J/mol×K	694.50	Joback Calculated Property
Cp,gas	345.48	J/mol×K	735.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Diethyl-[1,2,4]trithiolane, stereoisomer 1.

Sources

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

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