Chemical Properties of Propanenitrile, 2,3-dibromo- (CAS 4554-16-9)

InChI

InChI=1S/C3H3Br2N/c4-1-3(5)2-6/h3H,1H2

InChI Key

ARRIEYYNOLTVTE-UHFFFAOYSA-N

Formula

C3H3Br2N

SMILES

N#CC(Br)CBr

Molecular Weight¹

212.87

CAS

4554-16-9

Other Names

• 2,3-Dibromopropionitrile
• 1,2-Dibromopropionitrile
• 2,3-dibromopropiononitrile

• 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_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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	[98.16; 169.26]	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			3.18610e+01
Coefficient B			3.05900e-01
Coefficient C			-2.54400e-04
Coefficient D			8.59000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	98.16	J/mol×K	273.00	Calculated Property
Cp,gas	112.04	J/mol×K	353.78	Calculated Property
Cp,gas	123.80	J/mol×K	434.56	Calculated Property
Cp,gas	133.70	J/mol×K	515.33	Calculated Property
Cp,gas	142.01	J/mol×K	596.11	Calculated Property
Cp,gas	149.00	J/mol×K	676.89	Calculated Property
Cp,gas	154.95	J/mol×K	757.67	Calculated Property
Cp,gas	160.13	J/mol×K	838.44	Calculated Property
Cp,gas	164.81	J/mol×K	919.22	Calculated Property
Cp,gas	169.26	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Propanenitrile, 2,3-dibromo-.

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
• 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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