Chemical Properties of Benzoic acid, 4-[3-(2-chloroethyl)ureido]-3,5-dimethyl- (CAS 116465-96-4)

InChI

InChI=1S/C12H15ClN2O3/c1-7-5-9(11(16)17)6-8(2)10(7)15-12(18)14-4-3-13/h5-6H,3-4H2,1-2H3,(H,16,17)(H2,14,15,18)

InChI Key

VFKPCRRWRRCZNL-UHFFFAOYSA-N

Formula

C12H15ClN2O3

SMILES

Cc1cc(C(=O)O)cc(C)c1NC(=O)NCCCl

Molecular Weight¹

270.71

CAS

116465-96-4

• 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	[554.81; 601.17]	J/mol×K	[853.27; 1064.45]
Cp,gas	554.81	J/mol×K	853.27	Joback Calculated Property
Cp,gas	564.25	J/mol×K	888.47	Joback Calculated Property
Cp,gas	572.98	J/mol×K	923.66	Joback Calculated Property
Cp,gas	581.00	J/mol×K	958.86	Joback Calculated Property
Cp,gas	588.35	J/mol×K	994.06	Joback Calculated Property
Cp,gas	595.07	J/mol×K	1029.26	Joback Calculated Property
Cp,gas	601.17	J/mol×K	1064.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-[3-(2-chloroethyl)ureido]-3,5-dimethyl-.

Sources

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

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