Chemical Properties of 4-Methyl-3-thia-1-pentanethiol

InChI

InChI=1S/C5H12S2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3

InChI Key

VKUMRESRWKKRPX-UHFFFAOYSA-N

Formula

C5H12S2

SMILES

CC(C)SCCS

Molecular Weight¹

136.28

• 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	0.3486		Relay (1.0) Calculated Property
ΔfG°	51.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-97.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.35	kJ/mol	Joback Calculated Property
ΔvapH°	48.74	kJ/mol	Relay (1.0) Calculated Property
IE	8.75	eV	Relay (1.0) Calculated Property
log10WS	-1.74		Relay (1.0) Calculated Property
logPoct/wat	2.058		Crippen Calculated Property
McVol	114.010	ml/mol	McGowan Calculated Property
Pc	3862.67	kPa	Joback Calculated Property
Inp	[1062.00; 1062.00]
Inp	1062.00		NIST
Inp	1062.00		NIST
Tboil	446.06	K	Relay (1.0) Calculated Property
Tc	664.85	K	Relay (1.0) Calculated Property
Tfus	187.58	K	Relay (1.0) Calculated Property
Vc	0.386	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[212.53; 272.36]	J/mol×K	[445.00; 665.67]
Cp,gas	212.53	J/mol×K	445.00	Joback Calculated Property
Cp,gas	223.80	J/mol×K	481.78	Joback Calculated Property
Cp,gas	234.55	J/mol×K	518.56	Joback Calculated Property
Cp,gas	244.77	J/mol×K	555.33	Joback Calculated Property
Cp,gas	254.47	J/mol×K	592.11	Joback Calculated Property
Cp,gas	263.67	J/mol×K	628.89	Joback Calculated Property
Cp,gas	272.36	J/mol×K	665.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Methyl-3-thia-1-pentanethiol.

Sources

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

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