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
Sources

Physical Properties

Property Value Unit Source
PAff 778.90 kJ/mol NIST
BasG 749.80 kJ/mol NIST
Δcgas -2593.80 ± 0.54 kJ/mol NIST
Δcgas -2597.00 ± 1.20 kJ/mol NIST
Δf 198.92 kJ/mol Joback Calculated Property
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 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
logPoct/wat 1.35 Crippen Calculated Property
Pc 4640.32 kPa Joback Calculated Property
liquid 206.19 J/mol×K NIST
Tboil [283.50; 291.70] K Show Hide
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 467.79 K Joback Calculated Property
Tfus 136.94 ± 0.05 K NIST
Tfus 136.96 ± 0.02 K NIST
Ttriple 136.92 ± 0.06 K NIST
Ttriple 136.95 ± 0.05 K NIST
Ttriple 136.94 ± 0.08 K NIST
Vc 0.22 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 81.17 J/mol×K 290.87 Joback Calculated Property
Cp,liquid 122.80 J/mol×K 290.0 NIST
ΔfusH 6.95 kJ/mol 136.9 NIST
ΔfusH 6.96 kJ/mol 136.9 NIST
ΔfusH 6.96 kJ/mol 136.92 NIST
ΔvapH [24.02; 26.40] kJ/mol [223.50; 284.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 26.40 kJ/mol 223.5 NIST
ΔvapH 25.20 kJ/mol 237.5 NIST
ΔvapH 25.30 kJ/mol 267.0 NIST
ΔvapH 24.60 ± 0.10 kJ/mol 273.0 NIST
ΔvapH 24.62 kJ/mol 273.24 NIST
ΔvapH 24.60 ± 0.30 kJ/mol 273.25 NIST
ΔvapH 24.02 kJ/mol 284.0 NIST
ΔfusS 50.84 J/mol×K 136.92 NIST
ΔvapS 90.11 J/mol×K 273.24 NIST

Molecular Descriptors

Joback and Reid Groups
=CH2 1
-CH3 1
=CH- 1
=C= 1

Similar Compounds

2,3-Pentadiene. 1,2-Pentadiene. 1,2-Butadiene, 3-methyl-. Allyl radical. Chromium, bis[«mu»-[(1-«eta»:2,3-«eta»)-2-propenyl]]bis(«eta»3-2-propenyl)di-, (Cr-Cr). Propene. 2,3-Butadien-1-ol. 2-Butene, (Z)-. 2-Butene, (E)-. 1,3-Butadiene. 1,2,5-Hexatriene. 2-Butene. 2,3-Pentadiene, 2,4-dimethyl-. 3,4-Heptadiene. Phosphine, (1-methyl-1,2-propadienyl)-.

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