Chemical Properties of Benzoic acid, m-[3-(2-chloroethyl)ureido]- (CAS 13908-45-7)

InChI

InChI=1S/C10H11ClN2O3/c11-4-5-12-10(16)13-8-3-1-2-7(6-8)9(14)15/h1-3,6H,4-5H2,(H,14,15)(H2,12,13,16)

InChI Key

SSRMHTGBJOCURP-UHFFFAOYSA-N

Formula

C10H11ClN2O3

SMILES

O=C(NCCCl)Nc1cccc(C(=O)O)c1

Molecular Weight¹

242.66

CAS

13908-45-7

• 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	[451.98; 493.87]	J/mol×K	[797.55; 1009.55]
Cp,gas	451.98	J/mol×K	797.55	Joback Calculated Property
Cp,gas	460.53	J/mol×K	832.88	Joback Calculated Property
Cp,gas	468.41	J/mol×K	868.22	Joback Calculated Property
Cp,gas	475.65	J/mol×K	903.55	Joback Calculated Property
Cp,gas	482.28	J/mol×K	938.88	Joback Calculated Property
Cp,gas	488.35	J/mol×K	974.21	Joback Calculated Property
Cp,gas	493.87	J/mol×K	1009.55	Joback Calculated Property

Similar Compounds

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

Sources

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

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