Chemical Properties of 2-Nitro-2-methyl-1,3-propanediol (CAS 77-49-6)

2-Nitro-2-methyl-1,3-propanediol

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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
CAS
77-49-6
Other Names
  • 2-Methyl-2-nitro-1,3-propanediol
  • 1,3-Propanediol, 2-methyl-2-nitro-
  • Nitroisobutylglycol
  • NMPD
  • 1,1-Dimethylol-1-nitroethane
  • 2-Methyl-2-nitropropane-1,3-diol
  • 2-Methyl-2-nitropropanediol
  • NSC 5372
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Physical Properties

Property Value Unit Source
Δcsolid [-2294.20; -2280.30] kJ/mol Show Hide
Δcsolid -2289.80 ± 2.30 kJ/mol NIST
Δcsolid -2294.20 kJ/mol NIST
Δcsolid -2280.30 ± 2.80 kJ/mol NIST
Δf -252.45 kJ/mol Joback Calculated Property
Δfgas -449.86 kJ/mol Joback Calculated Property
Δfsolid [-580.10; -566.10] kJ/mol Show Hide
Δfsolid -570.50 ± 2.30 kJ/mol NIST
Δfsolid -566.10 kJ/mol NIST
Δfsolid -580.10 ± 2.80 kJ/mol NIST
Δfus 18.24 kJ/mol Joback Calculated Property
Δvap 73.15 kJ/mol Joback Calculated Property
log10WS -0.22 Crippen Calculated Property
logPoct/wat -0.994 Crippen Calculated Property
McVol 96.380 ml/mol McGowan Calculated Property
Pc 5198.13 kPa Joback Calculated Property
Tboil 623.89 K Joback Calculated Property
Tc 817.70 K Joback Calculated Property
Tfus 424.00 ± 4.00 K NIST
Vc 0.368 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [252.59; 287.65] J/mol×K [623.89; 817.70] Show Hide
Cp,gas 252.59 J/mol×K 623.89 Joback Calculated Property
Cp,gas 259.45 J/mol×K 656.19 Joback Calculated Property
Cp,gas 265.86 J/mol×K 688.49 Joback Calculated Property
Cp,gas 271.86 J/mol×K 720.79 Joback Calculated Property
Cp,gas 277.47 J/mol×K 753.10 Joback Calculated Property
Cp,gas 282.72 J/mol×K 785.40 Joback Calculated Property
Cp,gas 287.65 J/mol×K 817.70 Joback Calculated Property
ΔfusH 3.84 kJ/mol 424.00 NIST

Similar Compounds

1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-. 1-Propanol, 2-methyl-2-nitro-. 2-Nitro-2-ethyl-1,3-propanediol. 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. Nitroisobutanetriol trinitrate. 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-Nitro-2-methyl-1,3-propanediol.

Sources

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