Chemical Properties of 1,2,4-Trithiolane, 3-methyl-5-pentyl

InChI

InChI=1S/C9H18S3/c1-3-4-5-6-9-7-10-12-8(2)11-9/h8-9H,3-7H2,1-2H3

InChI Key

CKEAHKHPLAKFOJ-UHFFFAOYSA-N

Formula

C9H18S3

SMILES

CCCCCC1CSSC(C)S1

Molecular Weight¹

222.43

• 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°	161.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-59.33	kJ/mol	Joback Calculated Property
ΔfusH°	22.94	kJ/mol	Joback Calculated Property
ΔvapH°	53.18	kJ/mol	Joback Calculated Property
log10WS	-4.84		Crippen Calculated Property
logPoct/wat	4.409		Crippen Calculated Property
McVol	175.860	ml/mol	McGowan Calculated Property
Pc	2690.21	kPa	Joback Calculated Property
Inp	[1620.00; 1620.00]
Inp	1620.00		NIST
Inp	1620.00		NIST
Tboil	563.69	K	Joback Calculated Property
Tc	802.80	K	Joback Calculated Property
Tfus	444.68	K	Joback Calculated Property
Vc	0.610	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[407.49; 502.23]	J/mol×K	[563.69; 802.80]
Cp,gas	407.49	J/mol×K	563.69	Joback Calculated Property
Cp,gas	426.00	J/mol×K	603.54	Joback Calculated Property
Cp,gas	443.38	J/mol×K	643.39	Joback Calculated Property
Cp,gas	459.65	J/mol×K	683.24	Joback Calculated Property
Cp,gas	474.85	J/mol×K	723.10	Joback Calculated Property
Cp,gas	489.03	J/mol×K	762.95	Joback Calculated Property
Cp,gas	502.23	J/mol×K	802.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4-Trithiolane, 3-methyl-5-pentyl.

Sources

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

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