Chemical Properties of 1,4-Diphenylsemicarbazide (CAS 621-12-5)

InChI

InChI=1S/C13H13N3O/c17-13(14-11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1-10,15H,(H2,14,16,17)

InChI Key

NGZZNUMYERKSQA-UHFFFAOYSA-N

Formula

C13H13N3O

SMILES

O=C(NNc1ccccc1)Nc1ccccc1

Molecular Weight¹

227.26

CAS

621-12-5

Other Names

• Hydrazinecarboxamide, N,2-diphenyl-
• N,N'-Diphenyl semicarbazide
• Semicarbazide, 1,4-diphenyl-
• 1,4-Diphenylsemicarbizide

• 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	[490.26; 552.15]	J/mol×K	[754.58; 997.35]
Cp,gas	490.26	J/mol×K	754.58	Joback Calculated Property
Cp,gas	503.19	J/mol×K	795.04	Joback Calculated Property
Cp,gas	514.97	J/mol×K	835.50	Joback Calculated Property
Cp,gas	525.67	J/mol×K	875.96	Joback Calculated Property
Cp,gas	535.37	J/mol×K	916.43	Joback Calculated Property
Cp,gas	544.17	J/mol×K	956.89	Joback Calculated Property
Cp,gas	552.15	J/mol×K	997.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Diphenylsemicarbazide.

Sources

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

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