Chemical Properties of Pipobroman (CAS 54-91-1)

InChI

InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2

InChI Key

NJBFOOCLYDNZJN-UHFFFAOYSA-N

Formula

C10H16Br2N2O2

SMILES

O=C(CCBr)N1CCN(C(=O)CCBr)CC1

Molecular Weight¹

356.05

CAS

54-91-1

Other Names

• A 1803
• A-8103
• Amedel
• N,N'-Bis(3-bromopropionyl)piperazine
• NSC-25154
• Piperazine, 1,4-bis(3-bromo-1-oxopropyl)-
• Piperazine, 1,4-bis(3-bromopropionyl)-
• Vercyte
• 1,4-Bis(3-bromopropionyl)piperazine
• N,N-Bis-(3-bromopropionyl)-piperazine

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.7728		Relay (1.0) Calculated Property
ΔfG°	-23.68	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-378.04	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	87.94	kJ/mol	Relay (1.0) Calculated Property
IE	9.37	eV	Relay (1.0) Calculated Property
log10WS	-1.10		Relay (1.0) Calculated Property
logPoct/wat	1.227		Crippen Calculated Property
McVol	199.000	ml/mol	McGowan Calculated Property
Pc	2783.04	kPa	Relay (1.0-beta) Calculated Property
Inp	[2030.00; 2050.00]
Inp	2030.00		NIST
Inp	2050.00		NIST
Tboil	617.03	K	Relay (1.0) Calculated Property
Tc	856.65	K	Relay (1.0) Calculated Property
Tfus	435.35	K	Relay (1.0) Calculated Property
Vc	0.678	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Pipobroman.

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

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