Chemical Properties of 1,1,3-tris(methylthio)propane

InChI

InChI=1S/C6H14S3/c1-7-5-4-6(8-2)9-3/h6H,4-5H2,1-3H3

InChI Key

LWPTXCYOUONIIL-UHFFFAOYSA-N

Formula

C6H14S3

SMILES

CSCCC(SC)SC

Molecular Weight¹

182.37

• 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	0.3326		Relay (1.0) Calculated Property
ΔfG°	96.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-61.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.16	kJ/mol	Joback Calculated Property
ΔvapH°	65.19	kJ/mol	Relay (1.0) Calculated Property
IE	8.48	eV	Relay (1.0) Calculated Property
log10WS	-1.81		Relay (1.0) Calculated Property
logPoct/wat	2.792		Crippen Calculated Property
McVol	144.450	ml/mol	McGowan Calculated Property
Pc	3322.01	kPa	Joback Calculated Property
Inp	[1413.00; 1510.00]
Inp	1413.00		NIST
Inp	1510.00		NIST
Inp	1510.00		NIST
Tboil	516.21	K	Relay (1.0) Calculated Property
Tc	728.86	K	Relay (1.0) Calculated Property
Tfus	208.18	K	Relay (1.0) Calculated Property
Vc	0.469	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[301.78; 370.39]	J/mol×K	[542.58; 781.71]
Cp,gas	301.78	J/mol×K	542.58	Joback Calculated Property
Cp,gas	315.03	J/mol×K	582.43	Joback Calculated Property
Cp,gas	327.57	J/mol×K	622.29	Joback Calculated Property
Cp,gas	339.39	J/mol×K	662.14	Joback Calculated Property
Cp,gas	350.47	J/mol×K	702.00	Joback Calculated Property
Cp,gas	360.81	J/mol×K	741.85	Joback Calculated Property
Cp,gas	370.39	J/mol×K	781.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,1,3-tris(methylthio)propane.

Sources

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

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