Chemical Properties of N-«alpha»-Acetylglycinamide (CAS 2620-63-5)

InChI

InChI=1S/C4H8N2O2/c1-3(7)6-2-4(5)8/h2H2,1H3,(H2,5,8)(H,6,7)

InChI Key

WQELDIQOHGAHEM-UHFFFAOYSA-N

Formula

C4H6N2O2

SMILES

CC(=O)NCC(N)=O

Molecular Weight¹

114.10

CAS

2620-63-5

Other Names

• 2-acetamidoacetamide
• Acetamide, N-(2-amino-2-oxoethyl)-
• N-Acetylglycinamide
• N-acetylglycine amide

• 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_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).
• 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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-419.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.61	kJ/mol	Joback Calculated Property
ΔsubH°	[140.20; 140.20]	kJ/mol
ΔsubH°	140.20 ± 2.30	kJ/mol	NIST
ΔsubH°	140.20 ± 2.30	kJ/mol	NIST
ΔvapH°	70.54	kJ/mol	Relay (1.0) Calculated Property
IE	9.36	eV	Relay (1.0) Calculated Property
log10WS	0.04		Relay (1.0) Calculated Property
logPoct/wat	-1.392		Crippen Calculated Property
McVol	90.320	ml/mol	McGowan Calculated Property
Tboil	508.05	K	Relay (1.0) Calculated Property
Tfus	383.43	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[200.33; 242.47]	J/mol×K	[521.56; 729.86]
Cp,gas	200.33	J/mol×K	521.56	Joback Calculated Property
Cp,gas	208.42	J/mol×K	556.28	Joback Calculated Property
Cp,gas	216.07	J/mol×K	590.99	Joback Calculated Property
Cp,gas	223.29	J/mol×K	625.71	Joback Calculated Property
Cp,gas	230.08	J/mol×K	660.43	Joback Calculated Property
Cp,gas	236.48	J/mol×K	695.15	Joback Calculated Property
Cp,gas	242.47	J/mol×K	729.86	Joback Calculated Property
ΔfusH	[25.60; 25.60]	kJ/mol	[408.20; 408.20]
ΔfusH	25.60	kJ/mol	408.20	NIST
ΔfusH	25.60	kJ/mol	408.20	NIST
ΔfusH	25.60	kJ/mol	408.20	NIST
ΔfusH	25.60	kJ/mol	408.20	NIST
ΔsubH	[123.50; 135.00]	kJ/mol	[376.00; 392.00]
ΔsubH	123.50 ± 1.70	kJ/mol	376.00	NIST
ΔsubH	135.00 ± 3.00	kJ/mol	392.00	NIST
ΔfusS	62.70	J/mol×K	408.20	NIST

Similar Compounds

Find more compounds similar to N-«alpha»-Acetylglycinamide.

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
• Thermodynamics of solvation of some small peptides in water at T = 298.15 K
• 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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