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

Physical Properties

Property Value Unit Source
ω 0.1600 KDB
Δcliquid -3212.10 ± 0.42 kJ/mol NIST
Δf 198.70 kJ/mol KDB
Δc,grossH 3212.06 kJ/mol KDB
Δc,netH 3035.994 kJ/mol KDB
Δfgas [129.07; 129.80] kJ/mol Show Hide
Δfgas 129.80 kJ/mol KDB
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; 28.00] kJ/mol Show Hide
Δvap 27.90 ± 0.28 kJ/mol NIST
Δvap 28.00 kJ/mol NIST
IE [8.90; 8.95] eV Show Hide
IE 8.90 eV NIST
IE 8.95 ± 0.02 eV NIST
IE 8.95 eV NIST
log10WS -1.64 Crippen Calculated Property
logPoct/wat 1.737 Crippen Calculated Property
McVol 72.710 ml/mol McGowan Calculated Property
Pc 4110.00 kPa KDB
Inp [510.00; 535.50]   Show Hide
Inp 512.00 NIST
Inp 532.00 NIST
Inp 510.00 NIST
Inp 510.00 NIST
Inp 512.00 NIST
Inp 511.00 NIST
Inp 511.00 NIST
Inp 510.00 NIST
Inp 531.00 NIST
Inp 513.00 NIST
Inp 535.50 NIST
Inp 524.00 NIST
Inp 526.00 NIST
Inp 531.00 NIST
I [612.00; 634.00]   Show Hide
I 634.00 NIST
I 612.00 NIST
gas 321.21 J/mol×K NIST
liquid 231.79 J/mol×K NIST
Tboil 314.00 K KDB
Tc 496.00 K KDB
Tfus [159.50; 159.52] K Show Hide
Tfus 159.50 K KDB
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 0.267 m3/kmol KDB
Zc 0.2660940 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [109.14; 148.28] J/mol×K [313.63; 495.45] Show Hide
Cp,gas 109.14 J/mol×K 313.63 Joback Calculated Property
Cp,gas 116.18 J/mol×K 343.93 Joback Calculated Property
Cp,gas 123.01 J/mol×K 374.24 Joback Calculated Property
Cp,gas 129.63 J/mol×K 404.54 Joback Calculated Property
Cp,gas 136.05 J/mol×K 434.84 Joback Calculated Property
Cp,gas 142.27 J/mol×K 465.15 Joback Calculated Property
Cp,gas 148.28 J/mol×K 495.45 Joback Calculated Property
Cp,liquid [151.10; 152.42] J/mol×K [298.15; 298.15] Show Hide
Cp,liquid 152.42 J/mol×K 298.15 NIST
Cp,liquid 151.10 J/mol×K 298.15 NIST
ΔfusH [7.95; 7.96] kJ/mol [159.50; 159.53] Show Hide
ΔfusH 7.95 kJ/mol 159.50 NIST
ΔfusH 7.95 kJ/mol 159.50 NIST
ΔfusH 7.96 kJ/mol 159.53 NIST
ΔvapH [27.24; 31.60] kJ/mol [227.50; 314.00] Show Hide
ΔvapH 31.60 kJ/mol 227.50 NIST
ΔvapH 31.00 kJ/mol 240.00 NIST
ΔvapH 29.90 kJ/mol 287.50 NIST
ΔvapH 29.00 kJ/mol 296.50 NIST
ΔvapH 27.24 kJ/mol 314.00 KDB
n0 1.41692 298.15 KDB
ρl 686.00 kg/m3 293.00 KDB
ΔfusS 49.87 J/mol×K 159.53 NIST
γ 0.02 N/m 298.20 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [226.46; 333.46] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.41686e+01
Coefficient B-2.61851e+03
Coefficient C-3.78190e+01
Temperature range, min.226.46
Temperature range, max.333.46
Pvap 1.33 kPa 226.46 Calculated Property
Pvap 3.04 kPa 238.35 Calculated Property
Pvap 6.31 kPa 250.24 Calculated Property
Pvap 12.12 kPa 262.13 Calculated Property
Pvap 21.81 kPa 274.02 Calculated Property
Pvap 37.11 kPa 285.90 Calculated Property
Pvap 60.13 kPa 297.79 Calculated Property
Pvap 93.40 kPa 309.68 Calculated Property
Pvap 139.84 kPa 321.57 Calculated Property
Pvap 202.67 kPa 333.46 Calculated Property
Pvap [7.25e-04; 4077.13] kPa [159.53; 496.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A6.02254e+01
Coefficient B-5.23197e+03
Coefficient C-6.85750e+00
Coefficient D4.86827e-06
Temperature range, min.159.53
Temperature range, max.496.00
Pvap 7.25e-04 kPa 159.53 Calculated Property
Pvap 0.09 kPa 196.92 Calculated Property
Pvap 2.10 kPa 234.30 Calculated Property
Pvap 18.06 kPa 271.69 Calculated Property
Pvap 85.15 kPa 309.07 Calculated Property
Pvap 272.44 kPa 346.46 Calculated Property
Pvap 670.79 kPa 383.84 Calculated Property
Pvap 1376.61 kPa 421.23 Calculated Property
Pvap 2482.24 kPa 458.61 Calculated Property
Pvap 4077.13 kPa 496.00 Calculated Property

Similar Compounds

1,2-Butadienone, 3-methyl-. 2-METHYL-2,3-PENTADIENE. 2,3-Pentadiene, 2,4-dimethyl-. 2,3,4-Hexatriene, 2,5-dimethyl-. 2-Methylallyl radical. 1-Propene, 2-methyl-. Dimethylketene. 3-methylpenta-1,2-diene. 1-Propene, 1,1-dichloro-2-methyl-. 1,2-Butadiene. 1-Propene, 1-chloro-2-methyl-. 2-Butene, 2,3-dimethyl-. 2,3-Hexadiene, 2-methyl-. 1-Bromo-2-methylpropene. Isoprene.

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

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