Chemical Properties of N-(3-aminopropyl)-2-mercaptopropionamide (CAS 816-77-3)

InChI

InChI=1S/C6H14N2OS/c1-5(10)6(9)8-4-2-3-7/h5,10H,2-4,7H2,1H3,(H,8,9)

InChI Key

SZRLWIWKHLYZHF-UHFFFAOYSA-N

Formula

C6H14N2OS

SMILES

CC(S)C(=O)NCCCN

Molecular Weight¹

162.25

CAS

816-77-3

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[190.72; 416.66]	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			2.32830e+01
Coefficient B			7.17120e-01
Coefficient C			-4.01500e-04
Coefficient D			7.77600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	190.72	J/mol×K	273.00	Calculated Property
Cp,gas	230.18	J/mol×K	353.78	Calculated Property
Cp,gas	265.47	J/mol×K	434.56	Calculated Property
Cp,gas	296.86	J/mol×K	515.33	Calculated Property
Cp,gas	324.57	J/mol×K	596.11	Calculated Property
Cp,gas	348.85	J/mol×K	676.89	Calculated Property
Cp,gas	369.96	J/mol×K	757.67	Calculated Property
Cp,gas	388.13	J/mol×K	838.44	Calculated Property
Cp,gas	403.62	J/mol×K	919.22	Calculated Property
Cp,gas	416.66	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N-(3-aminopropyl)-2-mercaptopropionamide.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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