Chemical Properties of Propane, 1-nitro- (CAS 108-03-2)

Propane, 1-nitro-

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InChI
InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3
InChI Key
JSZOAYXJRCEYSX-UHFFFAOYSA-N
Formula
C3H7NO2
SMILES
CCC[N+](=O)[O-]
Molecular Weight1
89.09
CAS
108-03-2
Other Names
  • 1-NP
  • 1-Nitropan
  • 1-Nitropropane
  • N-Nitropropane
  • NiPar S-10
  • n-C3H7NO2
Sources

Physical Properties

Property Value Unit Source
Δcliquid [-2014.00; -2000.00] kJ/mol Show Hide
Δcliquid -2014.00 ± 0.40 kJ/mol NIST
Δcliquid -2012.10 ± 1.20 kJ/mol NIST
Δcliquid -2013.40 ± 2.60 kJ/mol NIST
Δcliquid -2000.00 kJ/mol NIST
Δf 9.93 kJ/mol Joback Calculated Property
Δfgas -116.01 kJ/mol Joback Calculated Property
Δfliquid -167.00 ± 0.40 kJ/mol NIST
Δfliquid -168.80 ± 1.30 kJ/mol NIST
Δfliquid -167.60 ± 2.60 kJ/mol NIST
Δfus 14.89 kJ/mol Joback Calculated Property
Δvap 43.90 kJ/mol NIST
Δvap 43.39 ± 0.42 kJ/mol NIST
IE [10.75; 10.95] eV Show Hide
IE 10.78 ± 0.03 eV NIST
IE 10.95 eV NIST
IE 10.75 ± 0.01 eV NIST
IE 10.81 ± 0.03 eV NIST
logPoct/wat 0.67 Crippen Calculated Property
Pc 4480.21 kPa Joback Calculated Property
Tboil [322.30; 404.80] K Show Hide
Tboil 404.80 K NIST
Tboil 404.33 ± 0.06 K NIST
Tboil 404.53 ± 0.07 K NIST
Tboil 404.80 ± 0.60 K NIST
Tboil Outlier 322.30 ± 0.70 K NIST
Tboil 404.15 ± 1.50 K NIST
Tc 629.40 K Joback Calculated Property
Tfus 169.16 ± 0.06 K NIST
Tfus 168.59 ± 0.05 K NIST
Vc 0.29 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 133.52 J/mol×K 419.88 Joback Calculated Property
ΔvapH 42.60 kJ/mol 349.0 NIST
ΔvapH 40.60 kJ/mol 367.5 NIST

Molecular Descriptors

Joback and Reid Groups
-NO2 1
-CH3 1
-CH2- 2

Similar Compounds

Propane, 2-methyl-1-nitro-. Butane, 1-nitro-. Ethane, nitro-. Butane, 2-nitro-. Propane, 2-nitro-. 1-Nitro-2-propanone. Nitro-3-methylbutane. 1-Nitro-2-propanol. Hexane, 1-nitro-. Ethanol, 2-nitro-. Ethane, 1-chloro-2-nitro-. Heptane, 1-nitro-. Propane, 2-methyl-2-nitro-. Nitrotridecane. 1-Nitrododecane.

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.