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

146.15

Other Names

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

• ω : Acentric Factor.
• 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_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 (1.0) Calculated Property
ΔfH°gas	-605.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.97	kJ/mol	Joback Calculated Property
ΔvapH°	79.32	kJ/mol	Relay (1.0) Calculated Property
IE	9.49	eV	Relay (1.0) Calculated Property
log10WS	-0.32		Relay (1.0) Calculated Property
logPoct/wat	-0.782		Crippen Calculated Property
McVol	110.280	ml/mol	McGowan Calculated Property
Pc	4109.14	kPa	Joback Calculated Property
Inp	[1451.70; 1451.70]
Inp	1451.70		NIST
Inp	1451.70		NIST
Tboil	521.25	K	Relay (1.0) Calculated Property
Tc	735.11	K	Relay (1.0) Calculated Property
Tfus	345.57	K	Relay (1.0) Calculated Property
Vc	0.408	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[165.37; 347.27]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.63920e+01
Coefficient B			5.34120e-01
Coefficient C			-2.26900e-04
Coefficient D			3.66000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	165.37	J/mol×K	273.00	Calculated Property
Cp,gas	197.12	J/mol×K	353.78	Calculated Property
Cp,gas	225.95	J/mol×K	434.56	Calculated Property
Cp,gas	251.89	J/mol×K	515.33	Calculated Property
Cp,gas	274.93	J/mol×K	596.11	Calculated Property
Cp,gas	295.11	J/mol×K	676.89	Calculated Property
Cp,gas	312.41	J/mol×K	757.67	Calculated Property
Cp,gas	326.87	J/mol×K	838.44	Calculated Property
Cp,gas	338.49	J/mol×K	919.22	Calculated Property
Cp,gas	347.27	J/mol×K	1000.00	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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