Chemical Properties of Glutaramic acid, 2-[3-(2-chloroethyl)ureido]-, l(-) (CAS 13908-05-9)

InChI

InChI=1S/C8H14ClN3O4/c9-3-4-11-8(16)12-5(7(14)15)1-2-6(10)13/h5H,1-4H2,(H2,10,13)(H,14,15)(H2,11,12,16)

InChI Key

BJNJLMYPSUMCTL-UHFFFAOYSA-N

Formula

C8H14ClN3O4

SMILES

NC(=O)CCC(NC(=O)NCCCl)C(=O)O

Molecular Weight¹

251.67

CAS

13908-05-9

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[256.50; 539.43]	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			3.02140e+01
Coefficient B			9.85600e-01
Coefficient C			-6.10800e-04
Coefficient D			1.34420e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	256.50	J/mol×K	273.00	Calculated Property
Cp,gas	308.40	J/mol×K	353.78	Calculated Property
Cp,gas	354.20	J/mol×K	434.56	Calculated Property
Cp,gas	394.31	J/mol×K	515.33	Calculated Property
Cp,gas	429.17	J/mol×K	596.11	Calculated Property
Cp,gas	459.19	J/mol×K	676.89	Calculated Property
Cp,gas	484.80	J/mol×K	757.67	Calculated Property
Cp,gas	506.43	J/mol×K	838.44	Calculated Property
Cp,gas	524.50	J/mol×K	919.22	Calculated Property
Cp,gas	539.43	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glutaramic acid, 2-[3-(2-chloroethyl)ureido]-, l(-).

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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