Chemical Properties of 1,2-Butadiene (CAS 590-19-2)

1,2-Butadiene

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InChI
InChI=1S/C4H6/c1-3-4-2/h4H,1H2,2H3
InChI Key
QNRMTGGDHLBXQZ-UHFFFAOYSA-N
Formula
C4H6
SMILES
C=C=CC
Molecular Weight1
54.09
CAS
590-19-2
Other Names
  • Allene, methyl-
  • Buta-1,2-diene
  • CH2=C=CHCH3
  • METHYLALLENE
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Physical Properties

Property Value Unit Source
ω 0.2550 KDB
PAff 778.90 kJ/mol NIST
BasG 749.80 kJ/mol NIST
Δcgas [-2597.00; -2593.80] kJ/mol Show Hide
Δcgas -2593.80 ± 0.54 kJ/mol NIST
Δcgas -2597.00 ± 1.20 kJ/mol NIST
μ 0.40 debye KDB
Δf 198.60 kJ/mol KDB
Δc,grossH 2569.52 kJ/mol KDB
Δc,netH 2437.515 kJ/mol KDB
Δfgas [162.20; 165.40] kJ/mol Show Hide
Δfgas 162.30 kJ/mol KDB
Δfgas 162.20 ± 0.59 kJ/mol NIST
Δfgas 165.40 ± 1.20 kJ/mol NIST
Δfus 6.97 kJ/mol Joback Calculated Property
Δvap [23.68; 23.90] kJ/mol Show Hide
Δvap 23.68 kJ/mol NIST
Δvap 23.90 kJ/mol NIST
IE [9.00; 9.33] eV Show Hide
IE 9.03 eV NIST
IE 9.23 ± 0.02 eV NIST
IE 9.33 ± 0.02 eV NIST
IE 9.00 eV NIST
IE 9.33 eV NIST
log10WS -1.22 Crippen Calculated Property
logPoct/wat 1.347 Crippen Calculated Property
McVol 58.620 ml/mol McGowan Calculated Property
Pc 4490.00 kPa KDB
Inp [427.00; 450.00]   Show Hide
Inp 428.50 NIST
Inp 427.90 NIST
Inp 429.00 NIST
Inp 430.00 NIST
Inp 430.00 NIST
Inp 430.00 NIST
Inp 448.00 NIST
Inp 427.00 NIST
Inp 450.00 NIST
Inp 441.00 NIST
Inp 427.00 NIST
Inp 450.00 NIST
Inp 428.50 NIST
Inp 430.00 NIST
I [540.00; 562.00]   Show Hide
I 562.00 NIST
I 540.00 NIST
I 562.00 NIST
liquid 206.19 J/mol×K NIST
Tboil [283.50; 291.70] K Show Hide
Tboil 284.00 K KDB
Tboil 284.00 K NIST
Tboil 291.70 ± 2.00 K NIST
Tboil 284.06 ± 0.30 K NIST
Tboil 283.50 ± 0.50 K NIST
Tc 443.70 K KDB
Tfus [136.94; 137.00] K Show Hide
Tfus 137.00 K KDB
Tfus 136.94 ± 0.05 K NIST
Tfus 136.96 ± 0.02 K NIST
Ttriple [136.92; 136.95] K Show Hide
Ttriple 136.92 ± 0.06 K NIST
Ttriple 136.95 ± 0.05 K NIST
Ttriple 136.94 ± 0.08 K NIST
Vc 0.219 m3/kmol KDB
Zc 0.2665410 KDB
Zra 0.27 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [81.17; 110.00] J/mol×K [290.87; 467.79] Show Hide
Cp,gas 81.17 J/mol×K 290.87 Joback Calculated Property
Cp,gas 86.28 J/mol×K 320.36 Joback Calculated Property
Cp,gas 91.27 J/mol×K 349.84 Joback Calculated Property
Cp,gas 96.14 J/mol×K 379.33 Joback Calculated Property
Cp,gas 100.88 J/mol×K 408.82 Joback Calculated Property
Cp,gas 105.51 J/mol×K 438.30 Joback Calculated Property
Cp,gas 110.00 J/mol×K 467.79 Joback Calculated Property
Cp,liquid 122.80 J/mol×K 290.00 NIST
ΔfusH [6.95; 6.96] kJ/mol [136.90; 136.92] Show Hide
ΔfusH 6.95 kJ/mol 136.90 NIST
ΔfusH 6.96 kJ/mol 136.90 NIST
ΔfusH 6.96 kJ/mol 136.92 NIST
ΔvapH [24.02; 26.40] kJ/mol [223.50; 284.00] Show Hide
ΔvapH 26.40 kJ/mol 223.50 NIST
ΔvapH 25.20 kJ/mol 237.50 NIST
ΔvapH 25.30 kJ/mol 267.00 NIST
ΔvapH 24.60 ± 0.10 kJ/mol 273.00 NIST
ΔvapH 24.62 kJ/mol 273.24 NIST
ΔvapH 24.60 ± 0.30 kJ/mol 273.25 NIST
ΔvapH 24.02 kJ/mol 284.00 NIST
ΔvapH 24.27 kJ/mol 284.00 KDB
ρl 652.00 kg/m3 293.00 KDB
ΔfusS 50.84 J/mol×K 136.92 NIST
γ 0.02 N/m 298.20 KDB
ΔvapS 90.11 J/mol×K 273.24 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [202.67; 304.33] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.42524e+01
Coefficient B-2.52653e+03
Coefficient C-2.17500e+01
Temperature range, min.202.67
Temperature range, max.304.33
Pvap 1.33 kPa 202.67 Calculated Property
Pvap 3.03 kPa 213.97 Calculated Property
Pvap 6.28 kPa 225.26 Calculated Property
Pvap 12.07 kPa 236.56 Calculated Property
Pvap 21.72 kPa 247.85 Calculated Property
Pvap 36.96 kPa 259.15 Calculated Property
Pvap 59.93 kPa 270.44 Calculated Property
Pvap 93.18 kPa 281.74 Calculated Property
Pvap 139.65 kPa 293.03 Calculated Property
Pvap 202.64 kPa 304.33 Calculated Property

Similar Compounds

2,3-Pentadiene. 2,3-Butadien-1-ol. 1,2-Butadiene, 3-methyl-. 1,2-Pentadiene. 2-METHYL-2,3-PENTADIENE. Propene. Propene-d6. 1-Propene, 1,1-dichloro-. Propene, 1,1-difluoro-. 3,4-Pentadienal. 1,1-Dibromopropene. 2,3-Hexadiene. Phosphine, (1-methyl-1,2-propadienyl)-. cis-1-Fluoro-1-propene. trans-1-Fluoro-1-propene.

Find more compounds similar to 1,2-Butadiene.

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