Chemical Properties of 2-Bromo-1-(4-nitrophenyl)ethyl nitrate (CAS 90221-54-8)

InChI

InChI=1S/C8H7BrN2O5/c9-5-8(16-11(14)15)6-1-3-7(4-2-6)10(12)13/h1-4,8H,5H2

InChI Key

APCSUXLRGPGZCG-UHFFFAOYSA-N

Formula

C8H7BrN2O5

SMILES

O=[N+]([O-])OC(CBr)c1ccc([N+](=O)[O-])cc1

Molecular Weight¹

291.06

CAS

90221-54-8

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[399.57; 439.88]	J/mol×K	[805.92; 1082.03]
Cp,gas	399.57	J/mol×K	805.92	Joback Calculated Property
Cp,gas	408.55	J/mol×K	851.94	Joback Calculated Property
Cp,gas	416.55	J/mol×K	897.96	Joback Calculated Property
Cp,gas	423.62	J/mol×K	943.98	Joback Calculated Property
Cp,gas	429.82	J/mol×K	989.99	Joback Calculated Property
Cp,gas	435.22	J/mol×K	1036.01	Joback Calculated Property
Cp,gas	439.88	J/mol×K	1082.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Bromo-1-(4-nitrophenyl)ethyl nitrate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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