Chemical Properties of 2-(propylthio)ethylamine

InChI

InChI=1S/C5H13NS/c1-2-4-7-5-3-6/h2-6H2,1H3

InChI Key

KHHKBTRFZTUVRD-UHFFFAOYSA-N

Formula

C5H13NS

SMILES

CCCSCCN

Molecular Weight¹

119.23

• 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	0.4050		Relay (1.0) Calculated Property
ΔfG°	90.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-96.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.03	kJ/mol	Joback Calculated Property
ΔvapH°	53.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.77	eV	Relay (1.0) Calculated Property
log10WS	-0.72		Relay (1.0) Calculated Property
logPoct/wat	1.088		Crippen Calculated Property
McVol	107.640	ml/mol	McGowan Calculated Property
Pc	3791.65	kPa	Joback Calculated Property
Inp	[1029.00; 1029.00]
Inp	1029.00		NIST
Inp	1029.00		NIST
Tboil	452.45	K	Relay (1.0) Calculated Property
Tc	662.36	K	Relay (1.0) Calculated Property
Tfus	213.43	K	Relay (1.0) Calculated Property
Vc	0.371	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[152.43; 339.84]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.44340e+01
Coefficient B			5.35110e-01
Coefficient C			-2.51400e-04
Coefficient D			3.17000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	152.43	J/mol×K	273.00	Calculated Property
Cp,gas	183.68	J/mol×K	353.78	Calculated Property
Cp,gas	212.10	J/mol×K	434.56	Calculated Property
Cp,gas	237.77	J/mol×K	515.33	Calculated Property
Cp,gas	260.80	J/mol×K	596.11	Calculated Property
Cp,gas	281.29	J/mol×K	676.89	Calculated Property
Cp,gas	299.34	J/mol×K	757.67	Calculated Property
Cp,gas	315.05	J/mol×K	838.44	Calculated Property
Cp,gas	328.52	J/mol×K	919.22	Calculated Property
Cp,gas	339.84	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-(propylthio)ethylamine.

Sources

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

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