Chemical Properties of Isoprene (CAS 78-79-5)

Isoprene

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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
  • «beta»-Methylbivinyl

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; 26.80] kJ/mol Show Hide
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
log10WS [-2.03; -2.03]   Show Hide
log10WS -2.03 Aq. Sol...
log10WS -2.03 Estimat...
logPoct/wat 1.748 Crippen Calculated Property
McVol 72.710 ml/mol McGowan Calculated Property
Pc 3862.67 kPa Joback Calculated Property
Inp [491.50; 520.00]   Show Hide
Inp 496.00 NIST
Inp 508.00 NIST
Inp 506.00 NIST
Inp 499.00 NIST
Inp 497.50 NIST
Inp 507.00 NIST
Inp 497.60 NIST
Inp Outlier 491.50 NIST
Inp 495.70 NIST
Inp 496.00 NIST
Inp 497.00 NIST
Inp 501.00 NIST
Inp 501.00 NIST
Inp 507.00 NIST
Inp 499.00 NIST
Inp Outlier 514.00 NIST
Inp 511.00 NIST
Inp 506.00 NIST
Inp 504.00 NIST
Inp 502.20 NIST
Inp 504.00 NIST
Inp Outlier 520.00 NIST
Inp 497.00 NIST
Inp 504.00 NIST
Inp 505.00 NIST
Inp 502.95 NIST
Inp 500.00 NIST
Inp 502.00 NIST
Inp 503.00 NIST
Inp 504.00 NIST
Inp 506.00 NIST
Inp 502.00 NIST
Inp 503.00 NIST
Inp 504.00 NIST
Inp 503.00 NIST
Inp 503.00 NIST
Inp 504.00 NIST
Inp 506.00 NIST
Inp 504.00 NIST
Inp 503.00 NIST
I [602.00; 633.00]   Show Hide
I 624.00 NIST
I 602.00 NIST
I 633.00 NIST
I 633.00 NIST
gas 314.76 J/mol×K NIST
liquid [228.28; 229.30] J/mol×K Show Hide
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 K Aq. Sol...
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 [126.40; 127.27] K Show Hide
Ttriple 127.27 ± 0.05 K NIST
Ttriple 126.40 ± 0.20 K NIST
Vc 0.279 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [101.90; 144.42] J/mol×K [307.04; 480.20] Show Hide
Cp,gas 101.90 J/mol×K 307.04 Joback Calculated Property
Cp,gas 109.82 J/mol×K 335.90 Joback Calculated Property
Cp,gas 117.40 J/mol×K 364.76 Joback Calculated Property
Cp,gas 124.63 J/mol×K 393.62 Joback Calculated Property
Cp,gas 131.54 J/mol×K 422.48 Joback Calculated Property
Cp,gas 138.13 J/mol×K 451.34 Joback Calculated Property
Cp,gas 144.42 J/mol×K 480.20 Joback Calculated Property
Cp,liquid [151.08; 152.60] J/mol×K [298.15; 298.20] Show Hide
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 298.20 NIST
ΔfusH [4.83; 4.92] kJ/mol [126.40; 127.30] Show Hide
ΔfusH 4.83 kJ/mol 126.40 NIST
ΔfusH 4.83 kJ/mol 126.40 NIST
ΔfusH 4.92 kJ/mol 127.27 NIST
ΔfusH 4.92 kJ/mol 127.30 NIST
ΔfusH 4.92 kJ/mol 127.30 NIST
ΔvapH [25.80; 31.50] kJ/mol [225.50; 307.20] Show Hide
ΔvapH 31.50 kJ/mol 225.50 NIST
ΔvapH 29.40 kJ/mol 237.50 NIST
ΔvapH 28.30 kJ/mol 285.00 NIST
ΔvapH 27.40 kJ/mol 288.00 NIST
ΔvapH 27.30 kJ/mol 299.00 NIST
ΔvapH 25.80 kJ/mol 307.20 NIST
Pvap 250.00 kPa 336.35 Isobari...
n0 1.42180 293.15 Isobari...
ΔfusS [38.21; 38.69] J/mol×K [126.40; 127.27] Show Hide
ΔfusS 38.21 J/mol×K 126.40 NIST
ΔfusS 38.21 J/mol×K 126.40 NIST
ΔfusS 38.69 J/mol×K 127.27 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [10.86; 3761.79] kPa [255.15; 483.30] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.59285e+01
Coefficient B-5.60831e+03
Coefficient C-9.40749e+00
Coefficient D8.78776e-06
Temperature range, min.255.15
Temperature range, max.483.30
Pvap 10.86 kPa 255.15 Calculated Property
Pvap 36.60 kPa 280.50 Calculated Property
Pvap 96.91 kPa 305.85 Calculated Property
Pvap 214.89 kPa 331.20 Calculated Property
Pvap 417.14 kPa 356.55 Calculated Property
Pvap 732.07 kPa 381.90 Calculated Property
Pvap 1189.37 kPa 407.25 Calculated Property
Pvap 1821.05 kPa 432.60 Calculated Property
Pvap 2663.69 kPa 457.95 Calculated Property
Pvap 3761.79 kPa 483.30 Calculated Property

Similar Compounds

3-Butenyl, 2-methylene-. 1,3-Butadiene, 1-chloro-2-methyl-. 1,3-Butadiene, 1-chloro-3-methyl-. 1,3-Pentadiene, 3-methyl-. 1,3-Pentadiene, 3-methyl-, (Z)-. 1,3-Pentadiene, 3-methyl-, (Z)-. 1,3-Butadiene, 2-(chloromethyl). 1,3-Pentadiene, 2-methyl-, (E)-. 2-Methyl-1, cis-3-pentadiene. 1,3-Pentadiene, 2-methyl-. 2,5-Dimethyl-(E)-1,3,5-hexatriene. 2,5-dimethyl-1,3,5-hexatriene. 1,3,5-Hexatriene, 3-methyl-, (E)-. 1,3-Butadiene, 2,3-dimethyl-. 4-Methyl-2,4-pentadienal.

Find more compounds similar to Isoprene.

Mixtures

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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