Chemical Properties of 3-Ureidopropionic acid, N-dimethylaminomethylene-, ethyl ester

InChI

InChI=1S/C9H17N3O3/c1-4-15-8(13)5-6-10-9(14)11-7-12(2)3/h7H,4-6H2,1-3H3,(H,10,14)

InChI Key

WFJYDXMJMNSLGE-UHFFFAOYSA-N

Formula

C9H17N3O3

SMILES

CCOC(=O)CCN=C(O)N=CN(C)C

Molecular Weight¹

215.25

• ω : Acentric Factor.
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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	0.8637		Relay (1.0) Calculated Property
ΔfH°gas	-551.19	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	99.75	kJ/mol	Relay (1.0) Calculated Property
log10WS	-1.25		Relay (1.0) Calculated Property
logPoct/wat	0.444		Crippen Calculated Property
McVol	172.320	ml/mol	McGowan Calculated Property
Pc	2081.22	kPa	Joback Calculated Property
Inp	[1918.00; 1918.00]
Inp	1918.00		NIST
Inp	1918.00		NIST
Tboil	571.33	K	Relay (1.0) Calculated Property
Tc	772.32	K	Relay (1.0) Calculated Property
Tfus	386.78	K	Relay (1.0) Calculated Property
Vc	0.647	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy 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.

Similar Compounds

Find more compounds similar to 3-Ureidopropionic acid, N-dimethylaminomethylene-, ethyl ester.

Sources

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

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