Chemical Properties of 1,3-Butadiene, 2,3-dimethyl- (CAS 513-81-5)

1,3-Butadiene, 2,3-dimethyl-

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InChI
InChI=1S/C6H10/c1-5(2)6(3)4/h1,3H2,2,4H3
InChI Key
SDJHPPZKZZWAKF-UHFFFAOYSA-N
Formula
C6H10
SMILES
C=C(C)C(=C)C
Molecular Weight1
82.14
CAS
513-81-5
Other Names
  • 2,3-DIMETHYLENEBUTANE
  • 2,3-Dimethyl-1,3-butadiene
  • 2,3-Dimethylbuta-1,3-diene
  • 2,3-Dimethylbutadiene
  • BIISOPROPENYL
  • CH2=C(CH3)C(CH3)=CH2
  • DIISOPROPENYL

Physical Properties

Property Value Unit Source
PAff 835.00 kJ/mol NIST
BasG 807.80 kJ/mol NIST
Δcliquid -3815.00 kJ/mol NIST
Δf 158.22 kJ/mol Joback Calculated Property
Δfgas 64.11 kJ/mol Joback Calculated Property
Δfus 6.12 kJ/mol Joback Calculated Property
Δvap 31.00 kJ/mol NIST
IE [8.54; 8.76] eV Show Hide
IE 8.66 ± 0.05 eV NIST
IE 8.62 ± 0.02 eV NIST
IE 8.66 eV NIST
IE 8.62 eV NIST
IE Outlier 8.54 ± 0.04 eV NIST
IE 8.71 eV NIST
IE 8.71 eV NIST
IE 8.71 eV NIST
IE 8.72 eV NIST
IE 8.76 eV NIST
log10WS [-2.40; -2.40]   Show Hide
log10WS -2.40 Aq. Sol...
log10WS -2.40 Estimat...
logPoct/wat 2.139 Crippen Calculated Property
McVol 86.800 ml/mol McGowan Calculated Property
Pc 3460.21 kPa Joback Calculated Property
Inp [582.00; 616.00]   Show Hide
Inp 612.00 NIST
Inp 616.00 NIST
Inp 616.00 NIST
Inp 598.10 NIST
Inp 598.30 NIST
Inp 610.00 NIST
Inp 611.00 NIST
Inp 613.00 NIST
Inp 613.00 NIST
Inp 612.00 NIST
Inp Outlier 582.00 NIST
Inp 612.00 NIST
Inp 614.00 NIST
Inp 607.00 NIST
Inp 612.00 NIST
Inp 611.00 NIST
Inp 611.00 NIST
Inp 612.00 NIST
Inp 616.00 NIST
Inp Outlier 582.00 NIST
Inp 612.00 NIST
I 757.00 NIST
Tboil [338.00; 344.15] K Show Hide
Tboil 341.55 K KDB
Tboil 342.00 K NIST
Tboil 341.89 ± 0.40 K NIST
Tboil 341.92 ± 0.40 K NIST
Tboil 343.00 ± 2.00 K NIST
Tboil 343.15 ± 2.00 K NIST
Tboil Outlier 338.00 ± 4.00 K NIST
Tboil 342.90 ± 2.00 K NIST
Tboil 342.15 ± 2.00 K NIST
Tboil 341.50 ± 1.00 K NIST
Tboil 342.00 ± 1.00 K NIST
Tboil 343.00 ± 2.00 K NIST
Tboil 340.70 ± 2.00 K NIST
Tboil 344.15 ± 2.00 K NIST
Tc 507.31 K Joback Calculated Property
Tfus [196.89; 208.00] K Show Hide
Tfus 197.13 K KDB
Tfus 196.89 ± 0.40 K NIST
Tfus 197.12 ± 0.05 K NIST
Tfus 197.13 ± 0.03 K NIST
Tfus 197.14 ± 0.02 K NIST
Tfus 197.20 ± 0.50 K NIST
Tfus Outlier 208.00 ± 10.00 K NIST
Vc 0.336 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [133.21; 184.81] J/mol×K [329.80; 507.31] Show Hide
Cp,gas 133.21 J/mol×K 329.80 Joback Calculated Property
Cp,gas 142.84 J/mol×K 359.38 Joback Calculated Property
Cp,gas 152.03 J/mol×K 388.97 Joback Calculated Property
Cp,gas 160.82 J/mol×K 418.55 Joback Calculated Property
Cp,gas 169.20 J/mol×K 448.14 Joback Calculated Property
Cp,gas 177.19 J/mol×K 477.72 Joback Calculated Property
Cp,gas 184.81 J/mol×K 507.31 Joback Calculated Property
ΔvapH 32.20 kJ/mol 307.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [247.13; 366.06] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.39098e+01
Coefficient B-2.77268e+03
Coefficient C-4.35880e+01
Temperature range, min.247.13
Temperature range, max.366.06
Pvap 1.33 kPa 247.13 Calculated Property
Pvap 3.06 kPa 260.34 Calculated Property
Pvap 6.38 kPa 273.56 Calculated Property
Pvap 12.28 kPa 286.77 Calculated Property
Pvap 22.11 kPa 299.99 Calculated Property
Pvap 37.56 kPa 313.20 Calculated Property
Pvap 60.73 kPa 326.42 Calculated Property
Pvap 94.07 kPa 339.63 Calculated Property
Pvap 140.36 kPa 352.85 Calculated Property
Pvap 202.67 kPa 366.06 Calculated Property
Pvap [0.02; 3518.79] kPa [197.15; 526.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A6.70887e+01
Coefficient B-5.89288e+03
Coefficient C-7.86671e+00
Coefficient D5.66614e-06
Temperature range, min.197.15
Temperature range, max.526.00
Pvap 0.02 kPa 197.15 Calculated Property
Pvap 0.49 kPa 233.69 Calculated Property
Pvap 5.19 kPa 270.23 Calculated Property
Pvap 28.99 kPa 306.77 Calculated Property
Pvap 105.70 kPa 343.31 Calculated Property
Pvap 288.85 kPa 379.84 Calculated Property
Pvap 645.24 kPa 416.38 Calculated Property
Pvap 1248.42 kPa 452.92 Calculated Property
Pvap 2176.95 kPa 489.46 Calculated Property
Pvap 3518.79 kPa 526.00 Calculated Property

Similar Compounds

Isoprene. 3-Buten-2-one, 3-methyl-. 1,3-Butadiene, 2-methyl-3-fluoro. 1,3-Butadiene, 2-chloro-3-methyl-. 2-Methyl-1-butene. 2,4-Hexadiene, 3,4-dimethyl-, (E,Z)-. 2,4-Hexadiene, 3,4-dimethyl-, (Z,Z)-. 3-Butenyl, 2-methylene-. Cyclobutane, 1,2-bis(methylene)-. Butyl, 2-methylene-. 1-Butene, 2,3,3-trimethyl-. 1,3-Butadiene, 2-ethyl-. 1,3-Butadiene, 1-chloro-3-methyl-. 1,3-Butadiene, 1-chloro-2-methyl-. Pentane, 3-methylene-.

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

Sources

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

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