Chemical Properties of Nitric acid, propyl ester (CAS 627-13-4)

Nitric acid, propyl ester

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InChI
InChI=1S/C3H7NO3/c1-2-3-7-4(5)6/h2-3H2,1H3
InChI Key
JNTOKFNBDFMTIV-UHFFFAOYSA-N
Formula
C3H7NO3
SMILES
CCCO[N+](=O)[O-]
Molecular Weight1
105.09
CAS
627-13-4
Other Names
  • Monopropyl nitrate
  • Nitrate de propyle normal
  • Propyl nitrate
  • Propylester kyseliny dusicne
  • UN 1865
  • n-C3H7ONO2
  • n-Propyl nitrate
Sources

Physical Properties

Property Value Unit Source
Δcliquid -1966.00 ± 1.00 kJ/mol NIST
Δf -95.07 kJ/mol Joback Calculated Property
Δfgas -248.23 kJ/mol Joback Calculated Property
Δfliquid -215.00 ± 1.00 kJ/mol NIST
Δfus 16.07 kJ/mol Joback Calculated Property
Δvap 40.58 kJ/mol NIST
IE 11.07 ± 0.02 eV NIST
logPoct/wat 0.60 Crippen Calculated Property
Pc 4379.97 kPa Joback Calculated Property
Tboil 383.70 ± 0.50 K NIST
Tboil 383.60 ± 1.50 K NIST
Tc 650.60 K Joback Calculated Property
Tfus 289.41 K Joback Calculated Property
Vc 0.30 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 153.09 J/mol×K 442.3 Joback Calculated Property
ΔvapH 41.70 kJ/mol 308.0 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH2- 2
-CH3 1
-NO2 1

Similar Compounds

Butyl nitrate. ?. Nitric acid, ethyl ester. 1,2-Propanediol, 1-nitrate-. Nitric acid, 1-methylpropyl ester. Nitric acid, pentyl ester. 1-Propanol, 2,2-dimethyl-, nitrate. 1-Butanol, 3-methyl-, nitrate. 1,5-Pentanediol, dinitrate. Propyl nitrite. Nitric acid, 1-methylethyl ester. Nitric acid, hexyl ester. 1,6-Hexanediol, dinitrate. Nitric acid, heptyl ester. 3-Pentyl nitrate.

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