Chemical Properties of 1,3-Cyclopentadiene (CAS 542-92-7)

1,3-Cyclopentadiene

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InChI
InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2
InChI Key
ZSWFCLXCOIISFI-UHFFFAOYSA-N
Formula
C5H6
SMILES
C1=CCC=C1
Molecular Weight1
66.10
CAS
542-92-7
Other Names
  • CYCLOPENTADIENE
  • PENTOLE
  • PYROPENTYLENE
  • R-PENTINE

Physical Properties

Property Value Unit Source
PAff [821.60; 828.00] kJ/mol Show Hide
PAff 821.60 kJ/mol NIST
PAff 828.00 kJ/mol NIST
BasG [798.30; 798.40] kJ/mol Show Hide
BasG 798.40 kJ/mol NIST
BasG 798.30 kJ/mol NIST
Δcgas -2960.00 ± 30.00 kJ/mol NIST
Δf 95.40 kJ/mol Joback Calculated Property
Δfgas [133.40; 139.00] kJ/mol Show Hide
Δfgas 139.00 kJ/mol NIST
Δfgas 133.40 kJ/mol NIST
Δfus 4.01 kJ/mol Joback Calculated Property
Δvap [28.40; 29.70] kJ/mol Show Hide
Δvap 29.00 kJ/mol NIST
Δvap 28.40 ± 0.30 kJ/mol NIST
Δvap 28.40 ± 0.30 kJ/mol NIST
Δvap 29.70 kJ/mol NIST
IE [8.44; 9.00] eV Show Hide
IE 8.57 ± 0.01 eV NIST
IE 8.44 eV NIST
IE 8.58 ± 0.02 eV NIST
IE 8.56 ± 0.01 eV NIST
IE 8.57 ± 0.01 eV NIST
IE 8.57 ± 0.01 eV NIST
IE Outlier 9.00 eV NIST
IE 8.55 eV NIST
IE 8.53 eV NIST
IE 8.61 eV NIST
IE 8.60 eV NIST
IE 8.56 eV NIST
log10WS -1.52 Crippen Calculated Property
logPoct/wat 1.502 Crippen Calculated Property
McVol 61.850 ml/mol McGowan Calculated Property
Pc 5008.59 kPa Joback Calculated Property
Inp [97.20; 552.50]   Show Hide
Inp 545.00 NIST
Inp 542.00 NIST
Inp 534.70 NIST
Inp 510.50 NIST
Inp 552.50 NIST
Inp 549.50 NIST
Inp 527.00 NIST
Inp 521.70 NIST
Inp 543.00 NIST
Inp 541.00 NIST
Inp 545.00 NIST
Inp 542.00 NIST
Inp 523.00 NIST
Inp 546.00 NIST
Inp 540.00 NIST
Inp 521.80 NIST
Inp 521.60 NIST
Inp 518.00 NIST
Inp 521.00 NIST
Inp 527.00 NIST
Inp 530.00 NIST
Inp 520.60 NIST
Inp 516.61 NIST
Inp 519.00 NIST
Inp 522.00 NIST
Inp 528.00 NIST
Inp 530.00 NIST
Inp 538.10 NIST
Inp 533.00 NIST
Inp 522.00 NIST
Inp 528.00 NIST
Inp 525.00 NIST
Inp 523.00 NIST
Inp 538.00 NIST
Inp 530.00 NIST
Inp 535.00 NIST
Inp 540.00 NIST
Inp Outlier 97.20 NIST
Inp 523.00 NIST
Inp 538.10 NIST
I [735.00; 745.70]   Show Hide
I 745.70 NIST
I 735.00 NIST
gas 274.47 J/mol×K NIST
liquid 182.70 J/mol×K NIST
Tboil [313.00; 315.70] K Show Hide
Tboil 313.20 K NIST
Tboil 314.20 ± 5.00 K NIST
Tboil 313.90 ± 2.00 K NIST
Tboil 313.15 ± 2.00 K NIST
Tboil 313.00 ± 2.00 K NIST
Tboil 314.90 ± 2.00 K NIST
Tboil 314.00 ± 3.00 K NIST
Tboil 315.70 ± 3.00 K NIST
Tc 532.62 K Joback Calculated Property
Tfus [183.15; 188.00] K Show Hide
Tfus 183.15 ± 10.00 K NIST
Tfus 188.00 ± 3.00 K NIST
Ttriple 176.60 ± 0.05 K NIST
Vc 0.230 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [81.65; 130.85] J/mol×K [332.07; 532.62] Show Hide
Cp,gas 81.65 J/mol×K 332.07 Joback Calculated Property
Cp,gas 91.26 J/mol×K 365.49 Joback Calculated Property
Cp,gas 100.27 J/mol×K 398.92 Joback Calculated Property
Cp,gas 108.71 J/mol×K 432.34 Joback Calculated Property
Cp,gas 116.60 J/mol×K 465.77 Joback Calculated Property
Cp,gas 123.97 J/mol×K 499.19 Joback Calculated Property
Cp,gas 130.85 J/mol×K 532.62 Joback Calculated Property
Cp,liquid 115.30 J/mol×K 298.15 NIST
η [0.0002333; 0.0024310] Pa×s [162.77; 332.07] Show Hide
η 0.0024310 Pa×s 162.77 Joback Calculated Property
η 0.0012326 Pa×s 190.99 Joback Calculated Property
η 0.0007443 Pa×s 219.20 Joback Calculated Property
η 0.0005043 Pa×s 247.42 Joback Calculated Property
η 0.0003700 Pa×s 275.64 Joback Calculated Property
η 0.0002876 Pa×s 303.85 Joback Calculated Property
η 0.0002333 Pa×s 332.07 Joback Calculated Property
ΔfusH [8.01; 8.01] kJ/mol [176.60; 176.60] Show Hide
ΔfusH 8.01 kJ/mol 176.60 NIST
ΔfusH 8.01 kJ/mol 176.60 NIST
ΔvapH [28.10; 28.20] kJ/mol [292.50; 302.50] Show Hide
ΔvapH 28.20 kJ/mol 292.50 NIST
ΔvapH 28.10 kJ/mol 302.50 NIST
ΔfusS 45.40 J/mol×K 176.60 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [223.94; 336.05] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.47937e+01
Coefficient B-3.06948e+03
Coefficient C-1.23430e+01
Temperature range, min.223.94
Temperature range, max.336.05
Pvap 1.33 kPa 223.94 Calculated Property
Pvap 2.99 kPa 236.40 Calculated Property
Pvap 6.14 kPa 248.85 Calculated Property
Pvap 11.76 kPa 261.31 Calculated Property
Pvap 21.16 kPa 273.77 Calculated Property
Pvap 36.10 kPa 286.22 Calculated Property
Pvap 58.79 kPa 298.68 Calculated Property
Pvap 91.91 kPa 311.14 Calculated Property
Pvap 138.65 kPa 323.59 Calculated Property
Pvap 202.65 kPa 336.05 Calculated Property
Pvap [0.07; 5003.74] kPa [188.15; 507.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A6.26203e+01
Coefficient B-4.93279e+03
Coefficient C-7.52765e+00
Coefficient D9.77663e-06
Temperature range, min.188.15
Temperature range, max.507.00
Pvap 0.07 kPa 188.15 Calculated Property
Pvap 1.38 kPa 223.58 Calculated Property
Pvap 11.03 kPa 259.01 Calculated Property
Pvap 50.36 kPa 294.43 Calculated Property
Pvap 160.70 kPa 329.86 Calculated Property
Pvap 404.53 kPa 365.29 Calculated Property
Pvap 867.07 kPa 400.72 Calculated Property
Pvap 1664.32 kPa 436.14 Calculated Property
Pvap 2961.21 kPa 471.57 Calculated Property
Pvap 5003.74 kPa 507.00 Calculated Property

Similar Compounds

Cyclopentadienyl radical. 1,3,6-Heptatriene. 1,3,5-Cycloheptatriene. 1,3,6-Octatriene. 1,3,6-Octatriene, (E,E)-. 1,3,6-Cyclooctatriene. 1,3,6-Octatriene, E,Z. trans-3,cis-5-octadiene. 3,5-Octadiene, (Z,Z)-. 3,5-Octadiene. trans-3,trans-5-octadiene. C2H5CH=CHCH=CH2. (E)-1,3-Hexadiene. 1,3-Hexadiene. 1,cis-3-hexadiene.

Find more compounds similar to 1,3-Cyclopentadiene.

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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