Chemical Properties of 1,3,5,7-Cyclooctatetraene (CAS 629-20-9)

1,3,5,7-Cyclooctatetraene

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InChI
InChI=1S/C8H8/c1-2-4-6-8-7-5-3-1/h1-8H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,8-7-
InChI Key
KDUIUFJBNGTBMD-BONZMOEMSA-N
Formula
C8H8
SMILES
C1=CC=CC=CC=C1
Molecular Weight1
104.15
CAS
629-20-9
Other Names
  • Cyclooctatetraene
  • UN 2358
  • [8]Annulene

Physical Properties

Property Value Unit Source
Δcliquid [-4545.92; -4539.00] kJ/mol Show Hide
Δcliquid -4539.00 ± 3.00 kJ/mol NIST
Δcliquid -4545.92 ± 0.92 kJ/mol NIST
EA [0.55; 0.82] eV Show Hide
EA 0.57 ± 0.03 eV NIST
EA 0.55 ± 0.02 eV NIST
EA 0.65 ± 0.04 eV NIST
EA 0.58 ± 0.10 eV NIST
EA Outlier 0.82 eV NIST
EA 0.58 ± 0.04 eV NIST
Δf 144.28 kJ/mol Joback Calculated Property
Δfgas 297.60 ± 1.30 kJ/mol NIST
Δfliquid 254.50 ± 1.30 kJ/mol NIST
Δfus 7.93 kJ/mol Joback Calculated Property
Δvap [43.10; 43.10] kJ/mol Show Hide
Δvap 43.10 ± 0.31 kJ/mol NIST
Δvap 43.10 kJ/mol NIST
IE [7.99; 8.43] eV Show Hide
IE 8.03 eV NIST
IE 8.00 eV NIST
IE 8.21 eV NIST
IE 8.04 eV NIST
IE 7.99 ± 0.02 eV NIST
IE 8.43 eV NIST
log10WS -2.48 Crippen Calculated Property
logPoct/wat 2.225 Crippen Calculated Property
McVol 95.520 ml/mol McGowan Calculated Property
Pc 4140.93 kPa Joback Calculated Property
Inp [846.00; 894.00]   Show Hide
Inp 850.00 NIST
Inp 880.00 NIST
Inp 880.00 NIST
Inp 894.00 NIST
Inp 850.00 NIST
Inp 880.00 NIST
Inp 889.00 NIST
Inp 846.00 NIST
Inp 880.00 NIST
I [1199.00; 1264.00]   Show Hide
I 1244.00 NIST
I 1244.00 NIST
I 1264.00 NIST
I 1226.00 NIST
I 1244.00 NIST
I Outlier 1199.00 NIST
I 1226.00 NIST
I 1244.00 NIST
gas 326.80 ± 1.50 J/mol×K NIST
liquid 220.29 J/mol×K NIST
Tboil [415.70; 416.00] K Show Hide
Tboil 415.70 K NIST
Tboil 416.00 ± 4.00 K NIST
Tc 640.50 K Joback Calculated Property
Tfus [265.00; 266.00] K Show Hide
Tfus 265.00 ± 1.50 K NIST
Tfus 266.00 ± 3.00 K NIST
Ttriple 268.48 ± 0.01 K NIST
Vc 0.345 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [157.51; 228.49] J/mol×K [411.84; 640.50] Show Hide
Cp,gas 157.51 J/mol×K 411.84 Joback Calculated Property
Cp,gas 171.42 J/mol×K 449.95 Joback Calculated Property
Cp,gas 184.46 J/mol×K 488.06 Joback Calculated Property
Cp,gas 196.66 J/mol×K 526.17 Joback Calculated Property
Cp,gas 208.05 J/mol×K 564.28 Joback Calculated Property
Cp,gas 218.65 J/mol×K 602.39 Joback Calculated Property
Cp,gas 228.49 J/mol×K 640.50 Joback Calculated Property
Cp,liquid 185.18 J/mol×K 298.15 NIST
η [0.0001878; 0.0137901] Pa×s [187.54; 411.84] Show Hide
η 0.0137901 Pa×s 187.54 Joback Calculated Property
η 0.0037168 Pa×s 224.92 Joback Calculated Property
η 0.0014557 Pa×s 262.31 Joback Calculated Property
η 0.0007203 Pa×s 299.69 Joback Calculated Property
η 0.0004167 Pa×s 337.07 Joback Calculated Property
η 0.0002688 Pa×s 374.46 Joback Calculated Property
η 0.0001878 Pa×s 411.84 Joback Calculated Property
ΔfusH [11.25; 11.27] kJ/mol [268.48; 268.50] Show Hide
ΔfusH 11.27 kJ/mol 268.48 NIST
ΔfusH 11.25 kJ/mol 268.50 NIST
ΔfusH 11.27 kJ/mol 268.50 NIST
ΔvapH 43.90 kJ/mol 310.50 NIST
ΔfusS 41.49 J/mol×K 268.48 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [302.10; 428.15] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.49287e+01
Coefficient B-3.53287e+03
Coefficient C-6.08070e+01
Temperature range, min.302.10
Temperature range, max.428.15
Pvap 1.33 kPa 302.10 Calculated Property
Pvap 2.98 kPa 316.11 Calculated Property
Pvap 6.11 kPa 330.11 Calculated Property
Pvap 11.69 kPa 344.12 Calculated Property
Pvap 21.03 kPa 358.12 Calculated Property
Pvap 35.90 kPa 372.13 Calculated Property
Pvap 58.51 kPa 386.13 Calculated Property
Pvap 91.60 kPa 400.14 Calculated Property
Pvap 138.40 kPa 414.14 Calculated Property
Pvap 202.63 kPa 428.15 Calculated Property

Similar Compounds

(E,E,E)-2,4,6-Octatriene. 2,4,6-octatriene. Octa-2,4,6-triene. (E,Z)-2,4,6-octatriene. 1,3,5-Hexatriene, (E)-. 1,3,5-Hexatriene, (Z)-. 1,3,5-Hexatriene. 1,3,5-heptatriene. 1,3,5-Heptatriene, (E,E)-. (E,Z)-1,3,5-heptatriene. (Z),(Z)-2,4-Hexadiene. 2,4-Hexadiene, (E,Z)-. 2,4-Hexadiene. 2,4-Hexadiene, (E,E)-. Cycloheptatrienyl radical.

Find more compounds similar to 1,3,5,7-Cyclooctatetraene.

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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