Chemical Properties of Butane, 1-nitro- (CAS 627-05-4)

Butane, 1-nitro-

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InChI
InChI=1S/C4H9NO2/c1-2-3-4-5(6)7/h2-4H2,1H3
InChI Key
NALZTFARIYUCBY-UHFFFAOYSA-N
Formula
C4H9NO2
SMILES
CCCC[N+](=O)[O-]
Molecular Weight1
103.12
CAS
627-05-4
Other Names
  • 1-Nitrobutane
  • Nitro-butane
  • n-C4H9NO2
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Physical Properties

Property Value Unit Source
ω 0.4520 KDB
Δcliquid -2667.80 ± 1.30 kJ/mol NIST
Δf 18.35 kJ/mol Joback Calculated Property
Δfgas -136.65 kJ/mol Joback Calculated Property
Δfliquid -192.60 ± 1.30 kJ/mol NIST
Δfus 17.48 kJ/mol Joback Calculated Property
Δvap [47.00; 48.58] kJ/mol Show Hide
Δvap 47.00 kJ/mol NIST
Δvap 48.58 ± 0.50 kJ/mol NIST
IE 10.71 ± 0.01 eV NIST
log10WS -1.58 Crippen Calculated Property
logPoct/wat 1.063 Crippen Calculated Property
McVol 84.640 ml/mol McGowan Calculated Property
Pc 3800.00 kPa KDB
Inp [754.60; 853.48]   Show Hide
Inp 808.56 NIST
Inp 810.11 NIST
Inp 811.95 NIST
Inp 801.32 NIST
Inp 802.43 NIST
Inp 803.51 NIST
Inp 804.40 NIST
Inp 805.74 NIST
Inp 807.39 NIST
Inp 763.80 NIST
Inp Outlier 853.48 NIST
Inp 765.20 NIST
Inp 767.00 NIST
Inp 824.00 NIST
Inp 824.00 NIST
Inp 822.00 NIST
Inp Outlier 754.60 NIST
Inp 788.00 NIST
Inp 804.00 NIST
Inp 791.00 NIST
Inp 800.00 NIST
Inp 826.02 NIST
Inp 842.53 NIST
Inp 804.00 NIST
Inp 805.00 NIST
Inp 805.00 NIST
Inp 791.00 NIST
Inp 791.00 NIST
Inp 804.00 NIST
Inp 826.02 NIST
I [1310.20; 1337.10]   Show Hide
I 1331.20 NIST
I 1333.70 NIST
I 1337.10 NIST
I 1310.20 NIST
I 1313.50 NIST
I 1317.50 NIST
I 1322.00 NIST
I 1326.60 NIST
I 1331.20 NIST
I 1317.50 NIST
Tboil [425.92; 427.05] K Show Hide
Tboil 426.10 K KDB
Tboil 426.20 K NIST
Tboil 425.92 ± 0.06 K NIST
Tboil 427.05 ± 0.50 K NIST
Tboil 426.10 ± 0.70 K NIST
Tc 624.00 K KDB
Tfus [191.82; 192.00] K Show Hide
Tfus 192.00 K KDB
Tfus 191.82 ± 0.05 K NIST
Vc 0.342 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [170.19; 219.20] J/mol×K [442.76; 649.80] Show Hide
Cp,gas 170.19 J/mol×K 442.76 Joback Calculated Property
Cp,gas 179.46 J/mol×K 477.27 Joback Calculated Property
Cp,gas 188.26 J/mol×K 511.77 Joback Calculated Property
Cp,gas 196.63 J/mol×K 546.28 Joback Calculated Property
Cp,gas 204.56 J/mol×K 580.78 Joback Calculated Property
Cp,gas 212.08 J/mol×K 615.29 Joback Calculated Property
Cp,gas 219.20 J/mol×K 649.80 Joback Calculated Property
ΔvapH [38.91; 42.70] kJ/mol [391.50; 426.10] Show Hide
ΔvapH 42.70 kJ/mol 391.50 NIST
ΔvapH 38.91 kJ/mol 426.10 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [303.64; 454.44] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.67422e+01
Coefficient B-5.64585e+03
Coefficient C3.94820e+01
Temperature range, min.303.64
Temperature range, max.454.44
Pvap 1.33 kPa 303.64 Calculated Property
Pvap 2.87 kPa 320.40 Calculated Property
Pvap 5.77 kPa 337.15 Calculated Property
Pvap 10.92 kPa 353.91 Calculated Property
Pvap 19.62 kPa 370.66 Calculated Property
Pvap 33.68 kPa 387.42 Calculated Property
Pvap 55.50 kPa 404.17 Calculated Property
Pvap 88.19 kPa 420.93 Calculated Property
Pvap 135.66 kPa 437.68 Calculated Property
Pvap 202.66 kPa 454.44 Calculated Property
Pvap [0.12; 4042.12] kPa [279.15; 624.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.64654e+02
Coefficient B-1.17644e+04
Coefficient C-2.23635e+01
Coefficient D1.65370e-05
Temperature range, min.279.15
Temperature range, max.624.00
Pvap 0.12 kPa 279.15 Calculated Property
Pvap 1.55 kPa 317.47 Calculated Property
Pvap 10.08 kPa 355.78 Calculated Property
Pvap 40.97 kPa 394.10 Calculated Property
Pvap 122.32 kPa 432.42 Calculated Property
Pvap 297.30 kPa 470.73 Calculated Property
Pvap 630.60 kPa 509.05 Calculated Property
Pvap 1225.21 kPa 547.37 Calculated Property
Pvap 2257.01 kPa 585.68 Calculated Property
Pvap 4042.12 kPa 624.00 Calculated Property

Similar Compounds

Pentane, 1-nitro-. Hexane, 1-nitro-. Heptane, 1-nitro-. 1-Nitro decane. Nitrotridecane. 1-Nitrododecane. Nitropentadecane. 1-Nitro octane. 1-nitro-3-methylbutane. Pentane, 2-nitro-. Propane, 1-nitro-. Hexane, 2-nitro-. Cyclopentane, nitro-. Butanoic acid, 4-nitro-, methyl ester. Butane, 2-nitro-.

Find more compounds similar to Butane, 1-nitro-.

Sources

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