Chemical Properties of 2-Butenoic acid, 2-(acetylamino)- (CAS 55649-71-3)

InChI

InChI=1S/C6H9NO3/c1-3-5(6(9)10)7-4(2)8/h3H,1-2H3,(H,7,8)(H,9,10)/b5-3+

InChI Key

RZLLYKKORUSDSK-HWKANZROSA-N

Formula

C6H9NO3

SMILES

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

Molecular Weight¹

143.14

CAS

55649-71-3

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	22.57	kJ/mol	Joback Calculated Property
IE	[8.30; 8.93]	eV
IE	8.30	eV	NIST
IE	8.93	eV	NIST
logPoct/wat	0.111		Crippen Calculated Property
McVol	110.090	ml/mol	McGowan Calculated Property
Pc	4409.10	kPa	Joback Calculated Property
Tboil	524.26	K	Relay (1.0) Calculated Property
Tc	730.23	K	Relay (1.0) Calculated Property
Tfus	422.46	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[257.99; 299.52]	J/mol×K	[590.81; 783.30]
Cp,gas	257.99	J/mol×K	590.81	Joback Calculated Property
Cp,gas	265.98	J/mol×K	622.89	Joback Calculated Property
Cp,gas	273.51	J/mol×K	654.97	Joback Calculated Property
Cp,gas	280.61	J/mol×K	687.06	Joback Calculated Property
Cp,gas	287.30	J/mol×K	719.14	Joback Calculated Property
Cp,gas	293.59	J/mol×K	751.22	Joback Calculated Property
Cp,gas	299.52	J/mol×K	783.30	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• 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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