Chemical Properties of 2-METHYL-2-NITRO-PROPANE-1,3-DIOL

2-METHYL-2-NITRO-PROPANE-1,3-DIOL

InChI
InChI=1S/C4H9NO4/c1-4(2-6,3-7)5(8)9/h6-7H,2-3H2,1H3
InChI Key
LOTYADDQWWVBDJ-UHFFFAOYSA-N
Formula
C4H9NO4
SMILES
CC(CO)(CO)[N+](=O)[O-]
Molecular Weight1
135.12
Other Names
  • 1,1-Dimethylol-1-nitroethane
  • 1,3-Propanediol, 2-methyl-2-nitro-
  • 2-Methyl-2-nitro-1,3-propanediol
  • 2-Methyl-2-nitropropane-1,3-diol
  • 2-Methyl-2-nitropropanediol
  • 2-Nitro-2-methyl-1,3-propanediol
  • NMPD
  • NSC 5372
  • Nitroisobutylglycol
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Physical Properties

Property Value Unit Source
ΔcH°solid [-2294.20; -2280.30] kJ/mol Show Hide
ΔcH°solid -2289.80 ± 2.30 kJ/mol NIST
ΔcH°solid -2294.20 kJ/mol NIST
ΔcH°solid -2280.30 ± 2.80 kJ/mol NIST
ΔfH°gas -414.45 kJ/mol Relay (1.0) Calculated Property
ΔfH°solid [-580.10; -566.10] kJ/mol Show Hide
ΔfH°solid -570.50 ± 2.30 kJ/mol NIST
ΔfH°solid -566.10 kJ/mol NIST
ΔfH°solid -580.10 ± 2.80 kJ/mol NIST
ΔfusH° 18.24 kJ/mol Joback Calculated Property
ΔvapH° 73.13 kJ/mol Relay (1.0) Calculated Property
log10WS -1.15 Relay (1.0) Calculated Property
logPoct/wat -0.994 Crippen Calculated Property
McVol 96.380 ml/mol McGowan Calculated Property
Tboil 525.39 K Relay (1.0) Calculated Property
Tfus [423.20; 424.00] K Show Hide
Tfus 423.20 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 424.00 ± 4.00 K NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 3.84 kJ/mol 424.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [141.05; 310.73] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-9.14800e+00
Coefficient B6.76980e-01
Coefficient C-5.04800e-04
Coefficient D1.47700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 141.05 J/mol×K 273.00 Calculated Property
Cp,gas 173.71 J/mol×K 353.78 Calculated Property
Cp,gas 201.83 J/mol×K 434.56 Calculated Property
Cp,gas 225.88 J/mol×K 515.33 Calculated Property
Cp,gas 246.31 J/mol×K 596.11 Calculated Property
Cp,gas 263.61 J/mol×K 676.89 Calculated Property
Cp,gas 278.23 J/mol×K 757.67 Calculated Property
Cp,gas 290.65 J/mol×K 838.44 Calculated Property
Cp,gas 301.33 J/mol×K 919.22 Calculated Property
Cp,gas 310.73 J/mol×K 1000.00 Calculated Property

Similar Compounds

1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-. 1-Propanol, 2-methyl-2-nitro-. 2-ETHYL-2-NITROPROPANE-1,3-DIOL. 2-Nitro-2-methyl-1-butanol. 2-Amino-2-methyl-1,3-propanediol. 2-Nitro-2-isopropyl-1,3-propanediol. 1,3-Propanediol, 2-methyl-2-nitro-, dinitrate. Bronopol. Tromethamine. 2-Nitro-1-propanol. 1,3-Propanediol, 2-nitro-2-[(nitrooxy)methyl]-, dinitrate (ester). N-2-(1,3-dihydroxy-2-methylpropyl) acetamide. 1-Propanol, 2-amino-2-methyl-. 2-Amino-2-ethyl-1,3-propanediol. 2,4-Dimethyl-2-oxazoline-4-methanol.

Find more compounds similar to 2-METHYL-2-NITRO-PROPANE-1,3-DIOL.

Sources

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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