Chemical Properties of Methyl acetylglycinate (CAS 1117-77-7)

InChI

InChI=1S/C5H9NO3/c1-4(7)6-3-5(8)9-2/h3H2,1-2H3,(H,6,7)

InChI Key

RFNODQARGNZURK-UHFFFAOYSA-N

Formula

C5H9NO3

SMILES

COC(=O)CNC(C)=O

Molecular Weight¹

131.13

CAS

1117-77-7

Other Names

• Methyl N-acetylglycinate
• Methyl N-acetylglycine
• N-Acetylglycine methyl ester
• CH3C(O)NHCH2C(O)OCH3
• Acetylglycine, methyl ester

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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_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).
• I_np : Non-polar retention indices.
• 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	0.5055		Relay (1.0) Calculated Property
PAff	892.00	kJ/mol	NIST
BasG	861.00	kJ/mol	NIST
ΔfG°	-282.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-578.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.19	kJ/mol	Joback Calculated Property
ΔvapH°	65.03	kJ/mol	Relay (1.0) Calculated Property
IE	9.42	eV	Relay (1.0) Calculated Property
log10WS	-0.04		Relay (1.0) Calculated Property
logPoct/wat	-0.705		Crippen Calculated Property
McVol	100.300	ml/mol	McGowan Calculated Property
Pc	4026.13	kPa	Joback Calculated Property
Inp	[1090.00; 1137.60]
Inp	1090.00		NIST
Inp	1137.60		NIST
Tboil	494.20	K	Relay (1.0) Calculated Property
Tc	661.93	K	Relay (1.0) Calculated Property
Tfus	296.99	K	Relay (1.0) Calculated Property
Vc	0.372	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[214.78; 262.27]	J/mol×K	[494.13; 687.46]
Cp,gas	214.78	J/mol×K	494.13	Joback Calculated Property
Cp,gas	223.59	J/mol×K	526.35	Joback Calculated Property
Cp,gas	232.04	J/mol×K	558.57	Joback Calculated Property
Cp,gas	240.14	J/mol×K	590.80	Joback Calculated Property
Cp,gas	247.88	J/mol×K	623.02	Joback Calculated Property
Cp,gas	255.26	J/mol×K	655.24	Joback Calculated Property
Cp,gas	262.27	J/mol×K	687.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl acetylglycinate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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