Chemical Properties of 3-Ureidopropionic acid, methyl ester

InChI

InChI=1S/C5H10N2O3/c1-10-4(8)2-3-7-5(6)9/h2-3H2,1H3,(H3,6,7,9)

InChI Key

UFAMKVNXXZQVNE-UHFFFAOYSA-N

Formula

C5H10N2O3

SMILES

COC(=O)CCNC(N)=O

Molecular Weight¹

146.14

Other Names

• Methyl N-(aminocarbonyl)-«beta»-alaninate

• ω : Acentric Factor.
• 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	0.6721		Relay (... Calculated Property
ΔfG°	-215.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-605.39	kJ/mol	Relay (... Calculated Property
ΔfusH°	23.39	kJ/mol	Joback Calculated Property
ΔvapH°	78.12	kJ/mol	Relay (... Calculated Property
IE	9.49	eV	Relay (... Calculated Property
log10WS	-0.32		Relay (... Calculated Property
logPoct/wat	-0.782		Crippen Calculated Property
McVol	110.280	ml/mol	McGowan Calculated Property
Pc	4333.96	kPa	Joback Calculated Property
Inp	[1451.70; 1451.70]
Inp	1451.70		NIST
Inp	1451.70		NIST
Tboil	521.25	K	Relay (... Calculated Property
Tc	724.91	K	Relay (... Calculated Property
Tfus	354.08	K	Relay (... Calculated Property
Vc	0.403	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[263.73; 311.92]	J/mol×K	[566.66; 769.76]
Cp,gas	263.73	J/mol×K	566.66	Joback Calculated Property
Cp,gas	272.90	J/mol×K	600.51	Joback Calculated Property
Cp,gas	281.61	J/mol×K	634.36	Joback Calculated Property
Cp,gas	289.87	J/mol×K	668.21	Joback Calculated Property
Cp,gas	297.67	J/mol×K	702.06	Joback Calculated Property
Cp,gas	305.02	J/mol×K	735.91	Joback Calculated Property
Cp,gas	311.92	J/mol×K	769.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Ureidopropionic acid, methyl ester.

Sources

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

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