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
Sources

Physical Properties

Property Value Unit Source
PAff 821.60 kJ/mol NIST
PAff 828.00 kJ/mol NIST
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 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
logPoct/wat 1.502 Crippen Calculated Property
Pc 5008.59 kPa Joback Calculated Property
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 ± 10.00 K NIST
Tfus 188.00 ± 3.00 K NIST
Ttriple 176.60 ± 0.05 K NIST
Vc 0.230 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 81.65 J/mol×K 332.07 Joback Calculated Property
Cp,liquid 115.30 J/mol×K 298.15 NIST
η 0.0002331 Pa×s 332.07 Joback Calculated Property
ΔfusH 8.01 kJ/mol 176.6 NIST
ΔfusH 8.01 kJ/mol 176.6 NIST
ΔvapH 28.20 kJ/mol 292.5 NIST
ΔvapH 28.10 kJ/mol 302.5 NIST
ΔfusS 45.40 J/mol×K 176.6 NIST

Molecular Descriptors

Joback and Reid Groups
-CH2- (ring) 1
=CH- (ring) 4

Similar Compounds

Cyclopentadienyl radical. Magnesocene. Cyclopentadien-5-yl mercuric chloride. 1,3,6-Heptatriene. (E)-1,3-Hexadiene. cis-1,3-Hexadiene. 1,3-Hexadiene. cis-1,3-hexadiene. C2H5CH=CHCH=CH2. 1,3,6-Octatriene. 1,4-Hexadiene, (Z)-. 1,3,6-Octatriene, E,Z. trans-1,4-Hexadiene. 1,3,6-Octatriene, (E,E)-. 1,4-Hexadiene.

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