Chemical Properties of Propane, 2-nitro- (CAS 79-46-9)

Propane, 2-nitro-

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InChI
InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3
InChI Key
FGLBSLMDCBOPQK-UHFFFAOYSA-N
Formula
C3H7NO2
SMILES
CC(C)[N+](=O)[O-]
Molecular Weight1
89.09
CAS
79-46-9
Other Names
  • 2-NP
  • 2-Nitropropane
  • Dimethylnitromethane
  • Isonitropropane
  • NSC 5369
  • Nipar S-20
  • Nipar S-20 solvent
  • Nipar S-30 solvent
  • Nitroisopropane
  • Rcra waste number U171
  • i-C3H7NO2
  • sec-Nitropropane
  • «beta»-Nitropropane
  • «beta»-Nitropropane
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Physical Properties

Property Value Unit Source
ω 0.3340 KDB
Δcliquid [-2000.70; -1997.60] kJ/mol Show Hide
Δcliquid -2000.70 ± 3.60 kJ/mol NIST
Δcliquid -1997.60 ± 0.71 kJ/mol NIST
Δf 7.49 kJ/mol Joback Calculated Property
Δfgas -121.29 kJ/mol Joback Calculated Property
Δfliquid [-183.20; -180.30] kJ/mol Show Hide
Δfliquid -180.30 ± 0.84 kJ/mol NIST
Δfliquid -183.20 ± 0.71 kJ/mol NIST
Δfus 11.36 kJ/mol Joback Calculated Property
Δvap [41.30; 43.90] kJ/mol Show Hide
Δvap 43.90 kJ/mol NIST
Δvap 41.30 ± 0.42 kJ/mol NIST
IE [10.48; 10.77] eV Show Hide
IE 10.74 ± 0.03 eV NIST
IE 10.48 eV NIST
IE 10.77 ± 0.01 eV NIST
IE 10.71 ± 0.05 eV NIST
log10WS [-0.62; -0.62]   Show Hide
log10WS -0.62 Aq. Sol...
log10WS -0.62 Estimat...
logPoct/wat 0.671 Crippen Calculated Property
McVol 70.550 ml/mol McGowan Calculated Property
NFPA Fire 2 KDB
NFPA Health 1 KDB
NFPA Safety 3 KDB
Pc 4150.00 kPa KDB
Inp [631.00; 686.00]   Show Hide
Inp Outlier 631.00 NIST
Inp 676.00 NIST
Inp 686.00 NIST
Inp 686.00 NIST
Inp 683.00 NIST
Inp 672.00 NIST
Inp 672.00 NIST
Inp 685.00 NIST
Inp 660.00 NIST
Inp 676.00 NIST
Inp 685.00 NIST
I [1109.00; 1129.00]   Show Hide
I 1129.00 NIST
I 1109.00 NIST
I 1109.00 NIST
Tboil [393.30; 393.50] K Show Hide
Tboil 393.30 K KDB
Tboil 393.50 K NIST
Tboil 393.40 ± 0.05 K NIST
Tboil 393.50 ± 0.60 K NIST
Tc 597.00 K KDB
Tfus [180.00; 181.83] K Show Hide
Tfus 180.72 K Aq. Sol...
Tfus 180.00 K KDB
Tfus 181.83 ± 0.05 K NIST
Vc 0.280 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [133.62; 176.19] J/mol×K [419.44; 634.16] Show Hide
Cp,gas 133.62 J/mol×K 419.44 Joback Calculated Property
Cp,gas 141.71 J/mol×K 455.23 Joback Calculated Property
Cp,gas 149.38 J/mol×K 491.01 Joback Calculated Property
Cp,gas 156.65 J/mol×K 526.80 Joback Calculated Property
Cp,gas 163.54 J/mol×K 562.59 Joback Calculated Property
Cp,gas 170.04 J/mol×K 598.37 Joback Calculated Property
Cp,gas 176.19 J/mol×K 634.16 Joback Calculated Property
ΔvapH [35.15; 40.90] kJ/mol [339.00; 393.30] Show Hide
ΔvapH 40.90 kJ/mol 339.00 NIST
ΔvapH 35.15 kJ/mol 393.30 KDB
Pvap [0.60; 5.61] kPa [274.70; 314.10] Show Hide
Pvap 0.61 kPa 274.70 Aliphat...
Pvap 0.60 kPa 274.80 Aliphat...
Pvap 0.60 kPa 274.80 Aliphat...
Pvap 0.80 kPa 279.50 Aliphat...
Pvap 0.83 kPa 279.60 Aliphat...
Pvap 1.09 kPa 284.40 Aliphat...
Pvap 1.09 kPa 284.40 Aliphat...
Pvap 1.46 kPa 289.30 Aliphat...
Pvap 1.95 kPa 294.20 Aliphat...
Pvap 1.90 kPa 294.30 Aliphat...
Pvap 2.57 kPa 299.20 Aliphat...
Pvap 3.34 kPa 304.10 Aliphat...
Pvap 3.34 kPa 304.20 Aliphat...
Pvap 4.30 kPa 309.10 Aliphat...
Pvap 5.61 kPa 314.10 Aliphat...
Pvap 5.56 kPa 314.10 Aliphat...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [288.38; 418.85] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.52250e+01
Coefficient B-3.84564e+03
Coefficient C-3.09300e+01
Temperature range, min.288.38
Temperature range, max.418.85
Pvap 1.33 kPa 288.38 Calculated Property
Pvap 2.96 kPa 302.88 Calculated Property
Pvap 6.05 kPa 317.37 Calculated Property
Pvap 11.54 kPa 331.87 Calculated Property
Pvap 20.77 kPa 346.37 Calculated Property
Pvap 35.49 kPa 360.86 Calculated Property
Pvap 57.96 kPa 375.36 Calculated Property
Pvap 90.98 kPa 389.86 Calculated Property
Pvap 137.91 kPa 404.35 Calculated Property
Pvap 202.65 kPa 418.85 Calculated Property
Pvap [3.42e-05; 4339.63] kPa [181.83; 594.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A6.10809e+01
Coefficient B-6.61815e+03
Coefficient C-6.74802e+00
Coefficient D4.35069e-06
Temperature range, min.181.83
Temperature range, max.594.00
Pvap 3.42e-05 kPa 181.83 Calculated Property
Pvap 0.01 kPa 227.63 Calculated Property
Pvap 0.52 kPa 273.42 Calculated Property
Pvap 6.58 kPa 319.22 Calculated Property
Pvap 41.12 kPa 365.02 Calculated Property
Pvap 163.17 kPa 410.81 Calculated Property
Pvap 478.28 kPa 456.61 Calculated Property
Pvap 1138.53 kPa 502.41 Calculated Property
Pvap 2341.64 kPa 548.20 Calculated Property
Pvap 4339.63 kPa 594.00 Calculated Property

Similar Compounds

Propane, 1-chloro-2-nitro-. Propane, 2-methyl-2-nitro-. Butane, 2-nitro-. 2-Bromo-2-nitropropane. 2-Nitro-1-propanol. Propane, 2-chloro-2-nitro-. Propane, 2-nitro-2-nitroso-. Ethane, nitro-. 2,2-Dinitropropane. Propane, 1-nitro-. isopropylammonium nitrate. 2-Propanamine. Isopropyl isothiocyanate. Pentane, 2-nitro-. 2-Propanamine, N,N'-methanetetraylbis-.

Find more compounds similar to Propane, 2-nitro-.

Mixtures

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.