Chemical Properties of 1-Propanethiol, 2-methyl-1-(methylthio)

InChI

InChI=1S/C5H12S2/c1-4(2)5(6)7-3/h4-6H,1-3H3

InChI Key

JAYNZTRVIZOSKN-UHFFFAOYSA-N

Formula

C5H12S2

SMILES

CSC(S)C(C)C

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°	48.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-76.74	kJ/mol	Joback Calculated Property
ΔfusH°	9.83	kJ/mol	Joback Calculated Property
ΔvapH°	39.50	kJ/mol	Joback Calculated Property
log10WS	-2.24		Crippen Calculated Property
logPoct/wat	2.261		Crippen Calculated Property
McVol	114.010	ml/mol	McGowan Calculated Property
Pc	3901.37	kPa	Joback Calculated Property
Inp	[997.00; 997.00]
Inp	997.00		NIST
Inp	997.00		NIST
Tboil	444.56	K	Joback Calculated Property
Tc	670.70	K	Joback Calculated Property
Tfus	186.97	K	Joback Calculated Property
Vc	0.411	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[212.66; 274.21]	J/mol×K	[444.56; 670.70]
Cp,gas	212.66	J/mol×K	444.56	Joback Calculated Property
Cp,gas	224.32	J/mol×K	482.25	Joback Calculated Property
Cp,gas	235.40	J/mol×K	519.94	Joback Calculated Property
Cp,gas	245.93	J/mol×K	557.63	Joback Calculated Property
Cp,gas	255.90	J/mol×K	595.32	Joback Calculated Property
Cp,gas	265.32	J/mol×K	633.01	Joback Calculated Property
Cp,gas	274.21	J/mol×K	670.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Propanethiol, 2-methyl-1-(methylthio).

Sources

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

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