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

InChI

InChI=1S/C7H14S3/c1-4-6-8-7(5(2)3)10-9-6/h5-7H,4H2,1-3H3

InChI Key

DLGUSEQUYDDHKA-UHFFFAOYSA-N

Formula

C7H14S3

SMILES

CCC1SSC(C(C)C)S1

Molecular Weight¹

194.38

• 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°	154.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-17.17	kJ/mol	Joback Calculated Property
ΔfusH°	16.34	kJ/mol	Joback Calculated Property
ΔvapH°	48.17	kJ/mol	Joback Calculated Property
log10WS	-4.26		Crippen Calculated Property
logPoct/wat	3.833		Crippen Calculated Property
McVol	147.680	ml/mol	McGowan Calculated Property
Pc	3254.14	kPa	Joback Calculated Property
Inp	[1383.00; 1385.00]
Inp	1383.00		NIST
Inp	1385.00		NIST
Inp	1383.00		NIST
Tboil	513.22	K	Joback Calculated Property
Tc	758.83	K	Joback Calculated Property
Tfus	410.66	K	Joback Calculated Property
Vc	0.499	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[314.40; 397.01]	J/mol×K	[513.22; 758.83]
Cp,gas	314.40	J/mol×K	513.22	Joback Calculated Property
Cp,gas	330.58	J/mol×K	554.15	Joback Calculated Property
Cp,gas	345.74	J/mol×K	595.09	Joback Calculated Property
Cp,gas	359.92	J/mol×K	636.02	Joback Calculated Property
Cp,gas	373.16	J/mol×K	676.96	Joback Calculated Property
Cp,gas	385.51	J/mol×K	717.89	Joback Calculated Property
Cp,gas	397.01	J/mol×K	758.83	Joback Calculated Property

Similar Compounds

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

Sources

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

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