Chemical Properties of 1,2,4-Trithiolane, 3,5-diethyl- (CAS 54644-28-9)

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

CAS

54644-28-9

Other Names

• 3,5-Diethyl-1,2,4-trithiolane

• 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	0.2759		Relay (... Calculated Property
ΔfG°	148.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-39.02	kJ/mol	Relay (... Calculated Property
ΔfusH°	17.27	kJ/mol	Joback Calculated Property
ΔvapH°	69.64	kJ/mol	Relay (... Calculated Property
IE	8.15	eV	Relay (... Calculated Property
log10WS	-3.14		Relay (... Calculated Property
logPoct/wat	3.587		Crippen Calculated Property
McVol	133.590	ml/mol	McGowan Calculated Property
Pc	3607.21	kPa	Joback Calculated Property
Inp	[1285.80; 1359.00]
Inp	1285.80		NIST
Inp	1292.90		NIST
Inp	1307.00		NIST
Inp	1322.00		NIST
Inp	1359.00		NIST
Inp	1345.00		NIST
Inp	1322.00		NIST
Inp	1285.80		NIST
I	[1740.00; 1751.00]
I	1740.00		NIST
I	1751.00		NIST
I	1744.00		NIST
I	1740.00		NIST
Tboil	525.50	K	Relay (... Calculated Property
Tc	731.17	K	Relay (... Calculated Property
Tfus	324.04	K	Relay (... Calculated Property
Vc	0.455	m3/kmol	Relay (... 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 1,2,4-Trithiolane, 3,5-diethyl-.

Sources

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

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