Chemical Properties of N-Acetyl-L-alanine amide (CAS 15962-47-7)

InChI

InChI=1S/C5H10N2O2/c1-3(5(6)9)7-4(2)8/h3H,1-2H3,(H2,6,9)(H,7,8)

InChI Key

DVOVBGJJSFSOPZ-UHFFFAOYSA-N

Formula

C5H10N2O2

SMILES

CC(=O)NC(C)C(N)=O

Molecular Weight¹

130.15

CAS

15962-47-7

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[242.65; 291.91]	J/mol×K	[543.80; 753.31]
Cp,gas	242.65	J/mol×K	543.80	Joback Calculated Property
Cp,gas	252.14	J/mol×K	578.72	Joback Calculated Property
Cp,gas	261.10	J/mol×K	613.64	Joback Calculated Property
Cp,gas	269.55	J/mol×K	648.56	Joback Calculated Property
Cp,gas	277.49	J/mol×K	683.47	Joback Calculated Property
Cp,gas	284.94	J/mol×K	718.39	Joback Calculated Property
Cp,gas	291.91	J/mol×K	753.31	Joback Calculated Property
ΔfusH	[21.70; 21.70]	kJ/mol	[431.00; 431.00]
ΔfusH	21.70	kJ/mol	431.00	NIST
ΔfusH	21.70	kJ/mol	431.00	NIST
ΔfusH	21.70	kJ/mol	431.00	NIST
ΔsubH	[115.00; 115.00]	kJ/mol	[376.00; 388.00]
ΔsubH	115.00 ± 1.20	kJ/mol	376.00	NIST
ΔsubH	115.00 ± 3.00	kJ/mol	388.00	NIST
ΔfusS	50.30	J/mol×K	431.00	NIST

Similar Compounds

Find more compounds similar to N-Acetyl-L-alanine amide.

Sources

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

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