Chemical Properties of Butane, 2-bromo- (CAS 78-76-2)

Butane, 2-bromo-

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InChI
InChI=1S/C4H9Br/c1-3-4(2)5/h4H,3H2,1-2H3
InChI Key
UPSXAPQYNGXVBF-UHFFFAOYSA-N
Formula
C4H9Br
SMILES
CCC(C)Br
Molecular Weight1
137.02
CAS
78-76-2
Other Names
  • (+/-)-2-Bromobutane
  • 2-BROMOBUTANE
  • 2-Butyl bromide
  • METHYLETHYLBROMOMETHANE
  • SEC-BUTYL BROMIDE
  • UN 2339
  • sec-C4H9Br
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Physical Properties

Property Value Unit Source
ω 0.3080 KDB
Δcliquid -2705.00 ± 1.00 kJ/mol NIST
Δf -5.32 kJ/mol Joback Calculated Property
Δfgas -120.00 ± 2.00 kJ/mol NIST
Δfliquid [-156.00; -155.30] kJ/mol Show Hide
Δfliquid -156.00 kJ/mol NIST
Δfliquid -155.30 ± 1.30 kJ/mol NIST
Δfus 7.88 kJ/mol Joback Calculated Property
Δvap [34.40; 34.80] kJ/mol Show Hide
Δvap 34.51 kJ/mol NIST
Δvap 34.50 ± 0.10 kJ/mol NIST
Δvap 34.47 ± 0.06 kJ/mol NIST
Δvap 34.80 ± 0.10 kJ/mol NIST
Δvap 34.40 ± 0.08 kJ/mol NIST
IE [9.98; 10.04] eV Show Hide
IE 10.01 ± 0.02 eV NIST
IE 10.03 eV NIST
IE 10.00 eV NIST
IE 10.04 eV NIST
IE 9.98 ± 0.01 eV NIST
log10WS -2.04 Crippen Calculated Property
logPoct/wat 2.180 Crippen Calculated Property
McVol 84.720 ml/mol McGowan Calculated Property
NFPA Fire 3 KDB
NFPA Health 2 KDB
Pc 4300.00 kPa KDB
Inp [660.00; 703.00]   Show Hide
Inp 660.00 NIST
Inp 666.00 NIST
Inp 670.00 NIST
Inp 674.00 NIST
Inp Outlier 703.00 NIST
Inp 692.00 NIST
Inp 689.00 NIST
Inp 674.00 NIST
Inp 673.00 NIST
Inp 674.00 NIST
I [890.00; 913.00]   Show Hide
I 900.00 NIST
I 913.00 NIST
I 890.00 NIST
I 905.00 NIST
Tboil [363.00; 364.50] K Show Hide
Tboil 364.40 K KDB
Tboil 364.20 K NIST
Tboil 364.00 K NIST
Tboil 364.00 K NIST
Tboil 364.50 K NIST
Tboil 363.00 ± 2.00 K NIST
Tboil 363.00 ± 2.00 K NIST
Tboil 364.45 ± 0.20 K NIST
Tboil 364.40 ± 0.50 K NIST
Tc 558.70 K KDB
Tfus [160.50; 161.00] K Show Hide
Tfus 161.00 K KDB
Tfus 160.50 ± 0.02 K NIST
Vc 0.316 m3/kmol KDB
Zc 0.2920470 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [127.42; 170.96] J/mol×K [356.64; 546.81] Show Hide
Cp,gas 127.42 J/mol×K 356.64 Joback Calculated Property
Cp,gas 135.57 J/mol×K 388.34 Joback Calculated Property
Cp,gas 143.34 J/mol×K 420.03 Joback Calculated Property
Cp,gas 150.76 J/mol×K 451.73 Joback Calculated Property
Cp,gas 157.82 J/mol×K 483.42 Joback Calculated Property
Cp,gas 164.55 J/mol×K 515.12 Joback Calculated Property
Cp,gas 170.96 J/mol×K 546.81 Joback Calculated Property
η [0.0003566; 0.0058035] Pa×s [179.64; 356.64] Show Hide
η 0.0058035 Pa×s 179.64 Joback Calculated Property
η 0.0026265 Pa×s 209.14 Joback Calculated Property
η 0.0014461 Pa×s 238.64 Joback Calculated Property
η 0.0009079 Pa×s 268.14 Joback Calculated Property
η 0.0006251 Pa×s 297.64 Joback Calculated Property
η 0.0004604 Pa×s 327.14 Joback Calculated Property
η 0.0003566 Pa×s 356.64 Joback Calculated Property
ΔfusH [6.88; 6.88] kJ/mol [160.30; 160.30] Show Hide
ΔfusH 6.88 kJ/mol 160.30 NIST
ΔfusH 6.88 kJ/mol 160.30 NIST
ΔvapH [30.77; 33.90] kJ/mol [342.00; 364.50] Show Hide
ΔvapH 33.90 kJ/mol 342.00 NIST
ΔvapH 32.76 kJ/mol 364.40 KDB
ΔvapH 30.77 kJ/mol 364.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [265.06; 388.32] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.46914e+01
Coefficient B-3.31459e+03
Coefficient C-3.49450e+01
Temperature range, min.265.06
Temperature range, max.388.32
Pvap 1.33 kPa 265.06 Calculated Property
Pvap 2.99 kPa 278.76 Calculated Property
Pvap 6.17 kPa 292.45 Calculated Property
Pvap 11.82 kPa 306.15 Calculated Property
Pvap 21.26 kPa 319.84 Calculated Property
Pvap 36.26 kPa 333.54 Calculated Property
Pvap 59.00 kPa 347.23 Calculated Property
Pvap 92.15 kPa 360.93 Calculated Property
Pvap 138.85 kPa 374.62 Calculated Property
Pvap 202.67 kPa 388.32 Calculated Property
Pvap [8.77e-06; 4558.92] kPa [161.25; 567.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.51791e+01
Coefficient B-6.62032e+03
Coefficient C-9.03951e+00
Coefficient D6.95378e-06
Temperature range, min.161.25
Temperature range, max.567.00
Pvap 8.77e-06 kPa 161.25 Calculated Property
Pvap 8.34e-03 kPa 206.33 Calculated Property
Pvap 0.51 kPa 251.42 Calculated Property
Pvap 7.45 kPa 296.50 Calculated Property
Pvap 48.25 kPa 341.58 Calculated Property
Pvap 189.38 kPa 386.67 Calculated Property
Pvap 539.83 kPa 431.75 Calculated Property
Pvap 1246.45 kPa 476.83 Calculated Property
Pvap 2499.44 kPa 521.92 Calculated Property
Pvap 4558.92 kPa 567.00 Calculated Property

Similar Compounds

Pentane, 3-bromo-. Butane, 1,3-dibromo-. Butane, 2,3-dibromo-, threo. DL-2,3-Dibromobutane. Butane, 2,3-dibromo-. meso-2,3-dibromobutane. Cyclobutyl bromide. Butane, 1,2-dibromo-. Pentane, 2-bromo-. Butane, 2-bromo-2-methyl-. Butane, 1-bromo-. Hexane, 3-bromo-. Butane, 1,1,2-tribromo-. Butane, 2-bromo-3-methyl. Pentane, 2,4-dibromo-.

Find more compounds similar to Butane, 2-bromo-.

Sources

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