Chemical Properties of 1,3-Butadiene, 2-methyl- (CAS 78-79-5)

1,3-Butadiene, 2-methyl-

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InChI
InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
InChI Key
RRHGJUQNOFWUDK-UHFFFAOYSA-N
Formula
C5H8
SMILES
C=CC(=C)C
Molecular Weight1
68.12
CAS
78-79-5
Other Names
  • 1,3-Butadiene, 2-methyl-
  • 2-Methyl-1,3-butadiene
  • 2-Methylbuta-1,3-diene
  • 2-Methylbutadiene
  • 3-Methyl-1,3-butadiene
  • CH2=C(CH3)CH=CH2
  • Isopentadiene
  • NSC 9237
  • «beta»-Methylbivinyl
Sources

Physical Properties

Property Value Unit Source
PAff 826.40 kJ/mol NIST
BasG 797.60 kJ/mol NIST
Δcgas -3186.60 ± 0.96 kJ/mol NIST
Δcliquid -3158.20 ± 1.60 kJ/mol NIST
Δf 158.35 kJ/mol Joback Calculated Property
Δfgas 75.70 ± 1.00 kJ/mol NIST
Δfus 4.84 kJ/mol Joback Calculated Property
Δvap 26.40 kJ/mol NIST
Δvap 26.80 ± 0.30 kJ/mol NIST
IE [8.84; 9.04] eV Show Hide
IE 8.86 ± 0.02 eV NIST
IE 8.85 ± 0.02 eV NIST
IE 8.85 eV NIST
IE 8.90 ± 0.10 eV NIST
IE 8.89 eV NIST
IE 8.85 ± 0.01 eV NIST
IE 8.84 ± 0.01 eV NIST
IE 8.85 eV NIST
IE 8.85 eV NIST
IE 8.87 eV NIST
IE Outlier 9.04 eV NIST
logPoct/wat 1.75 Crippen Calculated Property
Pc 3862.67 kPa Joback Calculated Property
gas 314.76 J/mol×K NIST
liquid 228.28 J/mol×K NIST
liquid 229.20 J/mol×K NIST
liquid 229.30 J/mol×K NIST
Tboil [306.00; 309.65] K Show Hide
Tboil 307.30 K NIST
Tboil 307.20 ± 2.00 K NIST
Tboil 307.20 ± 1.00 K NIST
Tboil 307.30 ± 0.50 K NIST
Tboil 307.00 ± 1.50 K NIST
Tboil 306.00 ± 2.00 K NIST
Tboil 307.00 ± 0.60 K NIST
Tboil 307.20 ± 0.50 K NIST
Tboil 307.50 ± 0.50 K NIST
Tboil 307.02 ± 0.60 K NIST
Tboil 307.22 ± 0.20 K NIST
Tboil 307.55 ± 1.50 K NIST
Tboil 306.40 ± 1.00 K NIST
Tboil 306.30 ± 1.00 K NIST
Tboil 307.30 ± 0.50 K NIST
Tboil Outlier 309.65 ± 1.00 K NIST
Tboil 309.00 ± 2.00 K NIST
Tc 480.20 K Joback Calculated Property
Tfus [126.40; 153.00] K Show Hide
Tfus 127.18 ± 0.05 K NIST
Tfus 127.20 ± 0.03 K NIST
Tfus 127.10 ± 0.40 K NIST
Tfus 126.96 ± 0.20 K NIST
Tfus 127.01 ± 0.10 K NIST
Tfus 126.40 ± 0.40 K NIST
Tfus Outlier 153.00 ± 10.00 K NIST
Ttriple 127.27 ± 0.05 K NIST
Ttriple 126.40 ± 0.20 K NIST
Vc 0.28 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 101.90 J/mol×K 307.04 Joback Calculated Property
Cp,liquid 151.08 J/mol×K 298.15 NIST
Cp,liquid 152.50 J/mol×K 298.15 NIST
Cp,liquid 152.60 J/mol×K 298.2 NIST
ΔfusH [4.83; 4.92] kJ/mol [126.40; 127.30] Show Hide
Plot of Enthalpy of fusion at a given temperature.
ΔfusH 4.83 kJ/mol 126.4 NIST
ΔfusH 4.83 kJ/mol 126.4 NIST
ΔfusH 4.92 kJ/mol 127.27 NIST
ΔfusH 4.92 kJ/mol 127.3 NIST
ΔfusH 4.92 kJ/mol 127.3 NIST
ΔvapH [25.80; 31.50] kJ/mol [225.50; 307.20] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 31.50 kJ/mol 225.5 NIST
ΔvapH 29.40 kJ/mol 237.5 NIST
ΔvapH 28.30 kJ/mol 285.0 NIST
ΔvapH 27.40 kJ/mol 288.0 NIST
ΔvapH 27.30 kJ/mol 299.0 NIST
ΔvapH 25.80 kJ/mol 307.2 NIST
ΔfusS 38.21 J/mol×K 126.4 NIST
ΔfusS 38.21 J/mol×K 126.4 NIST
ΔfusS 38.69 J/mol×K 127.27 NIST

Molecular Descriptors

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

Similar Compounds

3-Butenyl, 2-methylene-. 1,3-Butadiene, 2,3-dimethyl-. 1,3-Pentadiene, 3-methyl-, (E)-. 1,3-Pentadiene, 3-methyl-, (Z)-. 1,3-Pentadiene, 3-methyl-. 1,3-Pentadiene, 2-methyl-, (E)-. 1,3-Butadiene, 2-ethyl-. 1,3-Pentadiene, 2-methyl-. 2-Methyl-1, cis-3-pentadiene. CH3CHCH=CH2. But-3-en-1-yl radical. Triisobutylene. 1-Methylcyclopropyl. 2-Methylallyl radical. 1-Butene.

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

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