Chemical Properties of Urea, 1-(2-chloroethyl)-3-(cyanomethyl)- (CAS 13991-67-8)

InChI

InChI=1S/C5H8ClN3O/c6-1-3-8-5(10)9-4-2-7/h1,3-4H2,(H2,8,9,10)

InChI Key

JLXBWDRUULBIQN-UHFFFAOYSA-N

Formula

C5H8ClN3O

SMILES

N#CCNC(=O)NCCCl

Molecular Weight¹

161.59

CAS

13991-67-8

• 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).
• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[261.60; 301.44]	J/mol×K	[607.52; 815.89]
Cp,gas	261.60	J/mol×K	607.52	Joback Calculated Property
Cp,gas	269.36	J/mol×K	642.25	Joback Calculated Property
Cp,gas	276.66	J/mol×K	676.98	Joback Calculated Property
Cp,gas	283.49	J/mol×K	711.71	Joback Calculated Property
Cp,gas	289.90	J/mol×K	746.44	Joback Calculated Property
Cp,gas	295.87	J/mol×K	781.16	Joback Calculated Property
Cp,gas	301.44	J/mol×K	815.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Urea, 1-(2-chloroethyl)-3-(cyanomethyl)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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