Chemical Properties of 2,5-Pyrrolidinedione, 1-bromo- (CAS 128-08-5)

InChI

InChI=1S/C4H4BrNO2/c5-6-3(7)1-2-4(6)8/h1-2H2

InChI Key

PCLIMKBDDGJMGD-UHFFFAOYSA-N

Formula

C4H4BrNO2

SMILES

O=C1CCC(=O)N1Br

Molecular Weight¹

177.98

CAS

128-08-5

Other Names

• Bromosuccinimide
• N-Bromosuccinimide
• NBS
• Succinbromimide
• Succinimide, N-bromo-
• 1-Bromo-2,5-pyrrolidine-dione
• Succinbromide
• Succinibromimide
• N-Bromsuccinimide
• NSC 16

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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

Property	Value	Unit	Source
ΔfH°gas	-200.43	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-335.90 ± 0.63	kJ/mol	NIST
IE	[10.12; 10.12]	eV
IE	10.12	eV	NIST
IE	10.12	eV	NIST
logPoct/wat	0.445		Crippen Calculated Property
McVol	86.980	ml/mol	McGowan Calculated Property
Tfus	425.84	K	Relay (1.0) Calculated Property

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

Similar Compounds

Find more compounds similar to 2,5-Pyrrolidinedione, 1-bromo-.

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
• 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.
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