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

• 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°	51.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-71.46	kJ/mol	Joback Calculated Property
ΔfusH°	13.35	kJ/mol	Joback Calculated Property
ΔvapH°	39.89	kJ/mol	Joback Calculated Property
log10WS	-1.98		Crippen 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	445.00	K	Joback Calculated Property
Tc	665.67	K	Joback Calculated Property
Tfus	201.97	K	Joback Calculated Property
Vc	0.417	m3/kmol	Joback 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.