Chemical Properties of 1,3-Cyclohexadiene (CAS 592-57-4)

1,3-Cyclohexadiene

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InChI
InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2
InChI Key
MGNZXYYWBUKAII-UHFFFAOYSA-N
Formula
C6H8
SMILES
C1=CCCC=C1
Molecular Weight1
80.13
CAS
592-57-4
Other Names
  • 1,2-Dihydrobenzene
  • Cyclohexa-1,3-diene
Sources

Physical Properties

Property Value Unit Source
PAff 837.00 kJ/mol NIST
BasG 804.50 kJ/mol NIST
Δcliquid -3575.79 ± 0.54 kJ/mol NIST
Δf 91.72 kJ/mol Joback Calculated Property
Δfgas 104.58 ± 0.63 kJ/mol NIST
Δfliquid 71.41 ± 0.62 kJ/mol NIST
Δfus 4.50 kJ/mol Joback Calculated Property
Δvap 33.17 ± 0.05 kJ/mol NIST
Δvap 33.20 kJ/mol NIST
Δvap 33.00 kJ/mol NIST
IE [8.25; 8.32] eV Show Hide
IE 8.25 eV NIST
IE 8.25 ± 0.02 eV NIST
IE 8.25 ± 0.03 eV NIST
IE 8.25 eV NIST
IE 8.28 ± 0.05 eV NIST
IE Outlier 8.32 eV NIST
IE 8.25 ± 0.03 eV NIST
logPoct/wat 1.89 Crippen Calculated Property
Pc 4540.80 kPa Joback Calculated Property
liquid 197.28 J/mol×K NIST
Tboil [353.00; 356.00] K Show Hide
Tboil 353.00 K NIST
Tboil 353.70 K NIST
Tboil 353.00 ± 3.00 K NIST
Tboil Outlier 356.00 ± 8.00 K NIST
Tboil 353.00 ± 4.00 K NIST
Tboil 353.90 ± 2.00 K NIST
Tboil 353.70 ± 0.40 K NIST
Tc 568.24 K Joback Calculated Property
Tfus 184.00 ± 4.00 K NIST
Tfus 168.40 ± 0.30 K NIST
Ttriple 161.00 ± 0.20 K NIST
Vc 0.28 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 112.28 J/mol×K 359.22 Joback Calculated Property
Cp,liquid 141.30 J/mol×K 298.15 NIST
Cp,liquid 144.56 J/mol×K 298.15 NIST
η 0.00 Pa×s 359.22 Joback Calculated Property
ΔfusH 4.20 kJ/mol 161.0 NIST
ΔfusH 4.20 kJ/mol 161.0 NIST
ΔfusH 4.20 kJ/mol 161.0 NIST
ΔvapH 32.40 kJ/mol 313.0 NIST
ΔvapH 32.60 kJ/mol 335.5 NIST
ΔfusS 26.11 J/mol×K 161.0 NIST

Molecular Descriptors

Joback and Reid Groups
-CH2- (ring) 2
=CH- (ring) 4

Similar Compounds

1,3,7-Octatriene. 1,3,7-Octatriene, E. 1,3,7-Octatriene, Z. 1,trans-3-heptadiene. 1,3-heptadiene, cis. 1,3-heptadiene. cis-3,trans-5-nonadiene. cis-2,trans-4-octadiene. trans-4,trans-6-decadiene. trans-3,cis-5-nonadiene. 4,6-Decadiene. trans-2,trans-4-octadiene. trans-3,trans-5-nonadiene. cis-2,cis-4-octadiene. trans-4,cis-6-decadiene.

Find more compounds similar to 1,3-Cyclohexadiene.

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