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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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	0.3018		Relay (1.0) Calculated Property
ΔfH°gas	-80.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.83	kJ/mol	Joback Calculated Property
ΔvapH°	51.45	kJ/mol	Relay (1.0) Calculated Property
IE	8.89	eV	Relay (1.0) 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	423.10	K	Relay (1.0) Calculated Property
Tc	650.50	K	Relay (1.0) Calculated Property
Tfus	204.75	K	Relay (1.0) Calculated Property
Vc	0.385	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

• Cheméo Relay (1.0)
• 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.
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