Chemical Properties of 3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-

InChI

InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3

InChI Key

VYMDGNCVAMGZFE-UHFFFAOYSA-N

Formula

C19H20N2O2

SMILES

CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O

Molecular Weight¹

308.38

Other Names

• 1,2-Diphenyl-3,5-dioxo-4-butylpyrazolidine
• 1,2-Diphenyl-3,5-dioxo-4-n-butylpyrazolidine
• 1,2-Diphenyl-4-butyl-3,5-dioxopyrazolidine
• 1,2-Diphenyl-4-butyl-3,5-pyrazolidinedione
• 3,5-Dioxo-1,2-diphenyl-4-n-butyl-pyrazolidin
• 3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine
• 4-Butyl-1,2-diphenylpyrazolidine-3,5-dione
• 4-butyl-1,2-diphenyl-3,5-dioxopyrazolidine
• 4-butyl-1,2-diphenyl-3,5-pyrazolidinedione
• 4-n-Butyl-1,2-diphenyl-3,5-pyrazolidinedione
• A 7514
• Alindor
• Alkabutazona
• Alkazone
• Alqoverin
• Anerval
• Anpuzone
• Antadol
• Anuspiramin
• Arthrizon
• Artrizin
• Artrizone
• Artropan
• Azdid
• Azobutyl
• Azolid
• B.t.z.
• Benzone
• Betazed
• Bizolin 200
• Bunetzone
• Busone
• Butacompren
• Butacote
• Butadion
• Butadiona
• Butadione
• Butagesic
• Butalan
• Butalgina
• Butalidon
• Butaluy
• Butaphen
• Butapirazol
• Butapirazole
• Butapyrazole
• Butarecbon
• Butartril
• Butartrina
• Butazina
• Butazolidin
• Butazolidine
• Butazona
• Butazone
• Bute
• Butidiona
• Butiwas-Simple
• Butone
• Butoz
• Butylpyrin
• Buvetzone
• Buzon
• Chembutazone
• DA-192
• Digibutina
• Diossidone
• Diozol
• Diphebuzol
• Diphenylbutazone
• Ecobutazone
• Elmedal
• Equi bute
• Equipalazone
• Eributazone
• Esteve
• Febuzina
• Fenartil
• Fenibutal
• Fenibutasan
• Fenibutazona
• Fenibutol
• Fenilbutazona
• Fenilbutina
• Fenilbutine
• Fenilidina
• Fenotone
• Fenylbutazon
• Flexazone
• G 13,871
• Ia-But
• Intalbut
• Intrabutazone
• Intrazone
• Ipsoflame
• Kadol
• Lingel
• Malgesic
• Mephabutazon
• Mephabutazone
• Merizone
• NCI-C55414
• Nadazone
• Nadozone
• Neo-zoline
• Novophenyl
• PBZ
• Phebuzin
• Phebuzine
• Phen-Buta
• Phenbutazol
• Phenopyrine
• Phenyl-Mobuzon
• Phenylbutaz
• Phenylbutazonum
• Phenyzone
• Pirarreumol B
• Praecirheumin
• Pyrabutol
• Pyrazolidin
• R-3-ZON
• Rectofasa
• Reudo
• Reudox
• Reumasyl
• Reumazin
• Reumazol
• Reumune
• Reumuzol
• Reupolar
• Robizon-V
• Robizone
• Rubatone
• Scanbutazone
• Schemergin
• Shigrodin
• Tazone
• Tencodyne
• Tetnor
• Tevcodyne
• Therazone
• Ticinil
• Todalgil
• USAF GE-15
• Uzone
• VAC-10
• Wescozone
• Zolaphen
• Zolidinum
• Zorane
• phenylbutazone

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	[-3.81; -2.14]
log10WS	-2.14		Aq. Solubility Prediction
log10WS	-3.81		Estimated Solubility
logPoct/wat	3.788		Crippen Calculated Property
McVol	243.290	ml/mol	McGowan Calculated Property
Inp	[2333.00; 2443.60]
Inp	2345.00		NIST
Inp	2404.00		NIST
Inp	2368.00		NIST
Inp	2350.00		NIST
Inp	Outlier 2443.60		NIST
Inp	2344.00		NIST
Inp	2344.00		NIST
Inp	2352.00		NIST
Inp	2358.00		NIST
Inp	2333.00		NIST
Inp	2370.00		NIST
Inp	2345.00		NIST
Inp	2394.00		NIST
Inp	2358.00		NIST
Inp	2344.00		NIST
Inp	2365.00		NIST
Inp	2370.00		NIST
Inp	2370.00		NIST
Inp	2375.00		NIST
Inp	2365.00		NIST
Inp	2345.00		NIST
Inp	2370.00		NIST
Inp	2365.00		NIST
Inp	2350.00		NIST
Inp	2368.00		NIST
Inp	Outlier 2443.60		NIST
Inp	2333.00		NIST
Inp	2375.00		NIST
Inp	2394.00		NIST
Inp	2370.00		NIST
Inp	2404.00		NIST
Tfus	[377.00; 378.65]	K
Tfus	378.65	K	Aq. Solubility Prediction
Tfus	377.00 ± 1.00	K	NIST

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 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.

Similar Compounds

Find more compounds similar to 3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-.

Mixtures

• Methyl Alcohol + 3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-
• Ethanol + 3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-
• 2-Propanol + 3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-
• 1-Butanol + 3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-
• 1-Pentanol + 3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-
• 1-Hexanol + 3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-
• Acetonitrile + 3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-
• Ethyl Acetate + 3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-
• Acetone + 3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-
• Formamide, N,N-dimethyl- + 3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-
• Acetone + Methyl Alcohol + 3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-
• Acetonitrile + Ethanol + 3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-

Sources

• 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
• Determination and Correlation of Solubility of Phenylbutazone in Monosolvents and Binary Solvent Mixtures
• Aqueous Solubility Prediction Method
• Estimated Solubility 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.