Chemical Properties of 2-Propenoic acid, 2-(acetylamino)- (CAS 5429-56-1)

InChI

InChI=1S/C5H7NO3/c1-3(5(8)9)6-4(2)7/h1H2,2H3,(H,6,7)(H,8,9)

InChI Key

UFDFFEMHDKXMBG-UHFFFAOYSA-N

Formula

C5H7NO3

SMILES

C=C(N=C(C)O)C(=O)O

Molecular Weight¹

129.11

CAS

5429-56-1

Other Names

• Acrylic acid, 2-acetamido-
• «alpha»-Acetamidoacrylic acid
• N-Acetyldehydroalanine
• 2-Acetamidoacrylic acid
• Acetyldehydroalanine
• 2-Acetamidocrylic acid

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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).
• 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	0.7903		Relay (... Calculated Property
ΔfG°	-255.58	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-465.72	kJ/mol	Relay (... Calculated Property
ΔvapH°	81.55	kJ/mol	Relay (... Calculated Property
IE	[8.40; 9.24]	eV
IE	8.40	eV	NIST
IE	8.88	eV	NIST
IE	9.24	eV	NIST
log10WS	-0.27		Relay (... Calculated Property
logPoct/wat	0.561		Crippen Calculated Property
McVol	96.000	ml/mol	McGowan Calculated Property
Pc	4420.84	kPa	Joback Calculated Property
Tboil	514.93	K	Relay (... Calculated Property
Tc	722.92	K	Relay (... Calculated Property
Tfus	427.45	K	Relay (... Calculated Property
Vc	0.344	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenoic acid, 2-(acetylamino)-.

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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