Chemical Properties of 1,2-Butadiene, 3-methyl- (CAS 598-25-4)

1,2-Butadiene, 3-methyl-

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InChI
InChI=1S/C5H8/c1-4-5(2)3/h1H2,2-3H3
InChI Key
PAKGDPSCXSUALC-UHFFFAOYSA-N
Formula
C5H8
SMILES
C=C=C(C)C
Molecular Weight1
68.12
CAS
598-25-4
Other Names
  • 1,1-Dimethylallene
  • 1,1-Dimethylallylene
  • 2-Methyl-2,3-butadiene
  • 3,3-Dimethylallene
  • 3-Methyl-1,2-butadiene
  • 3-methylbuta-1,2-diene
  • CH2=C=C(CH3)2
Sources

Physical Properties

Property Value Unit Source
Δcliquid -3212.10 ± 0.42 kJ/mol NIST
Δf 198.79 kJ/mol Joback Calculated Property
Δfgas 129.07 ± 0.57 kJ/mol NIST
Δfgas 129.10 kJ/mol NIST
Δfliquid 101.20 ± 0.50 kJ/mol NIST
Δfus 8.25 kJ/mol Joback Calculated Property
Δvap 27.90 ± 0.28 kJ/mol NIST
Δvap 28.00 kJ/mol NIST
IE 8.90 eV NIST
IE 8.95 ± 0.02 eV NIST
IE 8.95 eV NIST
logPoct/wat 1.738 Crippen Calculated Property
Pc 4114.41 kPa Joback Calculated Property
gas 321.21 J/mol×K NIST
liquid 231.79 J/mol×K NIST
Tboil [308.90; 313.95] K Show Hide
Tboil 313.20 ± 1.50 K NIST
Tboil 312.80 ± 1.00 K NIST
Tboil 313.95 ± 2.00 K NIST
Tboil Outlier 308.90 ± 2.00 K NIST
Tboil 312.90 ± 2.00 K NIST
Tboil 312.65 ± 1.50 K NIST
Tc 495.45 K Joback Calculated Property
Tfus 159.51 ± 0.03 K NIST
Tfus 159.51 ± 0.02 K NIST
Tfus 159.52 ± 0.01 K NIST
Ttriple 159.53 ± 0.05 K NIST
Vc 0.278 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 109.14 J/mol×K 313.63 Joback Calculated Property
Cp,liquid 152.42 J/mol×K 298.15 NIST
Cp,liquid 151.10 J/mol×K 298.15 NIST
ΔfusH 7.95 kJ/mol 159.5 NIST
ΔfusH 7.95 kJ/mol 159.5 NIST
ΔfusH 7.96 kJ/mol 159.53 NIST
ΔvapH [29.00; 31.60] kJ/mol [227.50; 296.50] Show Hide
ΔvapH 31.60 kJ/mol 227.5 NIST
ΔvapH 31.00 kJ/mol 240.0 NIST
ΔvapH 29.90 kJ/mol 287.5 NIST
ΔvapH 29.00 kJ/mol 296.5 NIST
ΔfusS 49.87 J/mol×K 159.53 NIST

Molecular Descriptors

Joback and Reid Groups
=C= 1
-CH3 2
=CH2 1
=C< 1

Similar Compounds

2,3-Pentadiene, 2,4-dimethyl-. Triisobutylene. 1,2-Butadiene. Tetraisobutylene. 1-Propene, 2-methyl-. 2-Methylallyl radical. 1,2-Butadienone, 3-methyl-. 1,2-Pentadiene. 2,3,4-Hexatriene, 2,5-dimethyl-. 2,3-Hexadiene, 2-methyl-. 2,3-Pentadiene. 1,2,5-Hexatriene. 2-Butene, 2-methyl-. 3,4-Heptadiene. Butyl, 2-methylene-.

Find more compounds similar to 1,2-Butadiene, 3-methyl-.

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