Chemical Properties of Butane, 1-nitro- (CAS 627-05-4)

Butane, 1-nitro-

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C4H9NO2/c1-2-3-4-5(6)7/h2-4H2,1H3
InChI Key
NALZTFARIYUCBY-UHFFFAOYSA-N
Formula
C4H9NO2
SMILES
CCCC[N+](=O)[O-]
Molecular Weight1
103.12
CAS
627-05-4
Other Names
  • 1-Nitrobutane
  • Nitro-butane
  • n-C4H9NO2
Sources

Physical Properties

Property Value Unit Source
Δcliquid -2667.80 ± 1.30 kJ/mol NIST
Δf 18.35 kJ/mol Joback Calculated Property
Δfgas -136.65 kJ/mol Joback Calculated Property
Δfliquid -192.60 ± 1.30 kJ/mol NIST
Δfus 17.48 kJ/mol Joback Calculated Property
Δvap 47.00 kJ/mol NIST
Δvap 48.58 ± 0.50 kJ/mol NIST
IE 10.71 ± 0.01 eV NIST
logPoct/wat 1.063 Crippen Calculated Property
Pc 3955.54 kPa Joback Calculated Property
Tboil [425.92; 427.05] K Show Hide
Tboil 426.20 K NIST
Tboil 425.92 ± 0.06 K NIST
Tboil 427.05 ± 0.50 K NIST
Tboil 426.10 ± 0.70 K NIST
Tc 649.80 K Joback Calculated Property
Tfus 191.82 ± 0.05 K NIST
Vc 0.342 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 170.19 J/mol×K 442.76 Joback Calculated Property
ΔvapH 42.70 kJ/mol 391.5 NIST

Molecular Descriptors

Joback and Reid Groups
-CH2- 3
-CH3 1
-NO2 1

Similar Compounds

Nitro-3-methylbutane. Propane, 1-nitro-. Hexane, 1-nitro-. Heptane, 1-nitro-. 1-Nitro octane. 1-Nitro decane. 1-Nitrododecane. Nitropentadecane. Nitrotridecane. Pentane, 2-nitro-. Propane, 2-methyl-1-nitro-. Butane, 2-nitro-. Ethane, nitro-. 1-Nitro-2-propanol. Hexane, 2-nitro-.

Find more compounds similar to Butane, 1-nitro-.

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.