Chemical Properties of Ethanol, 2-nitro-, nitrate (ester)

Ethanol, 2-nitro-, nitrate (ester)

InChI
InChI=1S/C2H4N2O5/c5-3(6)1-2-9-4(7)8/h1-2H2
InChI Key
FRXFYZJACNONHT-UHFFFAOYSA-N
Formula
C2H4N2O5
SMILES
O=[N+]([O-])CCO[N+](=O)[O-]
Molecular Weight1
136.06
Other Names
  • 2-Nitroethyl nitrate
  • Ethanol, 2-nitro-, nitrate
  • Nitroethyl nitrate
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Physical Properties

Property Value Unit Source
ω 0.5798 Relay (1.0) Calculated Property
Δcliquid -927.17 kJ/mol NIST
Δfgas -131.72 kJ/mol Relay (1.0) Calculated Property
Δfus 24.85 kJ/mol Joback Calculated Property
Δvap 63.91 kJ/mol Relay (1.0) Calculated Property
IE 11.10 eV Relay (1.0) Calculated Property
log10WS -1.18 Relay (1.0) Calculated Property
logPoct/wat -0.529 Crippen Calculated Property
McVol 79.750 ml/mol McGowan Calculated Property
Pc 5080.25 kPa Joback Calculated Property
Tboil 448.41 K Relay (1.0) Calculated Property
Tc 670.86 K Relay (1.0) Calculated Property
Tfus 235.51 K Relay (1.0) Calculated Property

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [182.51; 217.67] J/mol×K [571.26; 815.08] Show Hide
Cp,gas 182.51 J/mol×K 571.26 Joback Calculated Property
Cp,gas 189.49 J/mol×K 611.90 Joback Calculated Property
Cp,gas 196.03 J/mol×K 652.53 Joback Calculated Property
Cp,gas 202.11 J/mol×K 693.17 Joback Calculated Property
Cp,gas 207.75 J/mol×K 733.80 Joback Calculated Property
Cp,gas 212.93 J/mol×K 774.44 Joback Calculated Property
Cp,gas 217.67 J/mol×K 815.08 Joback Calculated Property

Similar Compounds

Ethanol, 2-nitro-. Nitramine, N,N-bis(2-hydroxyethyl)-, nitrate. Nitric acid, ethyl ester. 1,3-Propanediol, 2-nitro-2-[(nitrooxy)methyl]-, dinitrate (ester). 1,3-Propanediol, 2-methyl-2-nitro-, dinitrate. 1-Nitro-2-propanol. Nitric acid, propyl ester. 1,3-Propanediol, dinitrate. 1,2-Ethanediol, dinitrate. N-Butyl-N-(2-hydroxyethyl)nitramine, nitrate. 1,7-Heptanediol, dinitrate. 1,4-Butanediol, dinitrate. 1,8-Octanediol, dinitrate. Nitric acid, butyl ester. 1,3-Dinitropropane.

Find more compounds similar to Ethanol, 2-nitro-, nitrate (ester).

Sources

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