Chemical Properties of 5-Benzylidenehydantoin

InChI

InChI=1S/C10H8N2O2/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)

InChI Key

UDTSPKADQGPZFS-UHFFFAOYSA-N

Formula

C10H8N2O2

SMILES

O=C1NC(=O)C(=Cc2ccccc2)N1

Molecular Weight¹

188.19

Other Names

• 2,4-Imidazolidinedione, 5-(phenylmethylene)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[164.14; 420.07]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.12700e+01
Coefficient B			5.92200e-01
Coefficient C			-9.35000e-05
Coefficient D			-8.99000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	164.14	J/mol×K	273.00	Calculated Property
Cp,gas	205.09	J/mol×K	353.78	Calculated Property
Cp,gas	243.58	J/mol×K	434.56	Calculated Property
Cp,gas	279.32	J/mol×K	515.33	Calculated Property
Cp,gas	312.02	J/mol×K	596.11	Calculated Property
Cp,gas	341.40	J/mol×K	676.89	Calculated Property
Cp,gas	367.18	J/mol×K	757.67	Calculated Property
Cp,gas	389.08	J/mol×K	838.44	Calculated Property
Cp,gas	406.80	J/mol×K	919.22	Calculated Property
Cp,gas	420.07	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 5-Benzylidenehydantoin.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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