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_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[490.32; 552.20]	J/mol×K	[754.78; 997.61]
Cp,gas	490.32	J/mol×K	754.78	Joback Calculated Property
Cp,gas	503.26	J/mol×K	795.25	Joback Calculated Property
Cp,gas	515.03	J/mol×K	835.72	Joback Calculated Property
Cp,gas	525.72	J/mol×K	876.20	Joback Calculated Property
Cp,gas	535.43	J/mol×K	916.67	Joback Calculated Property
Cp,gas	544.22	J/mol×K	957.14	Joback Calculated Property
Cp,gas	552.20	J/mol×K	997.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Diphenylsemicarbazide.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.