Chemical Properties of 2-Butene, 2-nitro- (CAS 4812-23-1)

InChI

InChI=1S/C4H7NO2/c1-3-4(2)5(6)7/h3H,1-2H3/b4-3+

InChI Key

DAHZYRVPEHDLPG-ONEGZZNKSA-N

Formula

C4H7NO2

SMILES

CC=C(C)[N+](=O)[O-]

Molecular Weight¹

101.10

CAS

4812-23-1

Other Names

• 2-Nitro-2-butene

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[103.66; 241.07]	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			-9.13000e+00
Coefficient B			5.03100e-01
Coefficient C			-3.58300e-04
Coefficient D			1.05400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	103.66	J/mol×K	273.00	Calculated Property
Cp,gas	128.68	J/mol×K	353.78	Calculated Property
Cp,gas	150.48	J/mol×K	434.56	Calculated Property
Cp,gas	169.41	J/mol×K	515.33	Calculated Property
Cp,gas	185.78	J/mol×K	596.11	Calculated Property
Cp,gas	199.94	J/mol×K	676.89	Calculated Property
Cp,gas	212.21	J/mol×K	757.67	Calculated Property
Cp,gas	222.93	J/mol×K	838.44	Calculated Property
Cp,gas	232.44	J/mol×K	919.22	Calculated Property
Cp,gas	241.07	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butene, 2-nitro-.

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
• 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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