Chemical Properties of 3-Ethyl-5-methyl-1,2,4-trithiolane (CAS 116505-59-0)

InChI

InChI=1S/C5H10S3/c1-3-5-6-4(2)7-8-5/h4-5H,3H2,1-2H3

InChI Key

SHLIDHGBMLQTDS-UHFFFAOYSA-N

Formula

C5H10S3

SMILES

CCC1SSC(C)S1

Molecular Weight¹

166.33

CAS

116505-59-0

• 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.
• 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	0.2413		Relay (1.0) Calculated Property
ΔfG°	139.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-27.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.68	kJ/mol	Joback Calculated Property
ΔvapH°	64.40	kJ/mol	Relay (1.0) Calculated Property
IE	8.31	eV	Relay (1.0) Calculated Property
log10WS	-2.54		Relay (1.0) Calculated Property
logPoct/wat	3.197		Crippen Calculated Property
McVol	119.500	ml/mol	McGowan Calculated Property
Pc	4062.13	kPa	Joback Calculated Property
Inp	[1217.00; 1255.20]
Inp	1255.20		NIST
Inp	1217.00		NIST
Inp	1255.20		NIST
Inp	1217.00		NIST
Tboil	504.57	K	Relay (1.0) Calculated Property
Tc	720.13	K	Relay (1.0) Calculated Property
Tfus	286.55	K	Relay (1.0) Calculated Property
Vc	0.407	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[229.19; 297.27]	J/mol×K	[467.90; 717.05]
Cp,gas	229.19	J/mol×K	467.90	Joback Calculated Property
Cp,gas	242.52	J/mol×K	509.42	Joback Calculated Property
Cp,gas	255.01	J/mol×K	550.95	Joback Calculated Property
Cp,gas	266.70	J/mol×K	592.47	Joback Calculated Property
Cp,gas	277.61	J/mol×K	634.00	Joback Calculated Property
Cp,gas	287.79	J/mol×K	675.52	Joback Calculated Property
Cp,gas	297.27	J/mol×K	717.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Ethyl-5-methyl-1,2,4-trithiolane.

Sources

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

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