Chemical Properties of 1,3-Propanediol, 2,2-dimethyl-, dinitrate (CAS 26482-65-5)

1,3-Propanediol, 2,2-dimethyl-, dinitrate

InChI
InChI=1S/C5H10N2O6/c1-5(2,3-12-6(8)9)4-13-7(10)11/h3-4H2,1-2H3
InChI Key
KMZHSZUYWUWLOD-UHFFFAOYSA-N
Formula
C5H10N2O6
SMILES
CC(C)(CO[N+](=O)[O-])CO[N+](=O)[O-]
Molecular Weight1
194.14
CAS
26482-65-5
Other Names
  • Dimethylolpropane dinitrate
  • Neopentyl glycol dinitrate
  • 2,2-Dimethyl-1,3-propanediol, dinitrate
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Physical Properties

Property Value Unit Source
ΔcH°solid -2995.00 kJ/mol NIST
ΔfH°gas -296.22 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 26.39 kJ/mol Joback Calculated Property
ΔvapH° 72.25 kJ/mol Relay (1.0) Calculated Property
IE 10.95 eV Relay (1.0) Calculated Property
log10WS -2.37 Relay (1.0) Calculated Property
logPoct/wat 0.429 Crippen Calculated Property
McVol 127.890 ml/mol McGowan Calculated Property
Tboil 469.28 K Relay (1.0) Calculated Property
Tfus 338.92 K Relay (1.0) Calculated Property

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

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [195.24; 408.21] 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 A3.58520e+01
Coefficient B6.76960e-01
Coefficient C-3.54800e-04
Coefficient D5.02000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 195.24 J/mol×K 273.00 Calculated Property
Cp,gas 233.16 J/mol×K 353.78 Calculated Property
Cp,gas 267.15 J/mol×K 434.56 Calculated Property
Cp,gas 297.36 J/mol×K 515.33 Calculated Property
Cp,gas 323.95 J/mol×K 596.11 Calculated Property
Cp,gas 347.09 J/mol×K 676.89 Calculated Property
Cp,gas 366.92 J/mol×K 757.67 Calculated Property
Cp,gas 383.61 J/mol×K 838.44 Calculated Property
Cp,gas 397.32 J/mol×K 919.22 Calculated Property
Cp,gas 408.21 J/mol×K 1000.00 Calculated Property

Similar Compounds

1,3-Propanediol, 2-methyl-2-[(nitrooxy)methyl]-, dinitrate (ester). Pentaerythritol Tetranitrate. 1-Propanol, 2,2-dimethyl-, nitrate. neo-Pentyl nitrite. Nitric acid, 2-methylpropyl ester. 1,3-Propanediol, 2-methyl-2-n-propyl-, dinitrate. 1,3-Propanediol, 2-methyl-2-nitro-, dinitrate. 1,3-Propanediol, 2-nitro-2-[(nitrooxy)methyl]-, dinitrate (ester). 1,3-Propanediol, dinitrate. Isobutyl nitrite. 2,2-Dimethyl-3-butyl nitrate. 1,3-Butanediol dinitrate. Neopentyl glycol. Nitric acid, propyl ester. 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-.

Find more compounds similar to 1,3-Propanediol, 2,2-dimethyl-, dinitrate.

Sources

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