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
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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 [33.00; 33.20] kJ/mol Show Hide
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
log10WS -1.94 Crippen Calculated Property
logPoct/wat 1.893 Crippen Calculated Property
McVol 75.940 ml/mol McGowan Calculated Property
Pc 4540.80 kPa Joback Calculated Property
Inp [634.00; 693.00]   Show Hide
Inp 689.60 NIST
Inp 688.60 NIST
Inp 655.00 NIST
Inp 673.10 NIST
Inp 684.00 NIST
Inp 671.00 NIST
Inp Outlier 693.00 NIST
Inp 652.80 NIST
Inp 653.40 NIST
Inp 649.00 NIST
Inp 654.00 NIST
Inp 659.00 NIST
Inp 655.00 NIST
Inp 663.00 NIST
Inp 652.00 NIST
Inp 655.00 NIST
Inp 688.00 NIST
Inp 662.00 NIST
Inp 649.00 NIST
Inp 655.00 NIST
Inp 659.00 NIST
Inp 664.00 NIST
Inp 655.00 NIST
Inp 653.00 NIST
Inp 665.00 NIST
Inp 665.00 NIST
Inp 655.00 NIST
Inp 657.00 NIST
Inp Outlier 634.00 NIST
Inp Outlier 634.00 NIST
Inp 671.00 NIST
Inp 664.00 NIST
Inp 665.00 NIST
Inp 671.00 NIST
Inp 678.00 NIST
Inp 692.00 NIST
I [849.00; 883.00]   Show Hide
I 883.00 NIST
I 849.00 NIST
I 861.00 NIST
I 864.00 NIST
I 861.00 NIST
liquid 197.28 J/mol×K NIST
Tboil 359.22 K Joback Calculated Property
Tc 568.24 K Joback Calculated Property
Tfus [168.40; 184.00] K Show Hide
Tfus 184.00 ± 4.00 K NIST
Tfus 168.40 ± 0.30 K NIST
Ttriple 161.00 ± 0.20 K NIST
Vc 0.278 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [112.28; 174.29] J/mol×K [359.22; 568.24] Show Hide
Cp,gas 112.28 J/mol×K 359.22 Joback Calculated Property
Cp,gas 124.27 J/mol×K 394.06 Joback Calculated Property
Cp,gas 135.57 J/mol×K 428.89 Joback Calculated Property
Cp,gas 146.19 J/mol×K 463.73 Joback Calculated Property
Cp,gas 156.16 J/mol×K 498.57 Joback Calculated Property
Cp,gas 165.52 J/mol×K 533.40 Joback Calculated Property
Cp,gas 174.29 J/mol×K 568.24 Joback Calculated Property
Cp,liquid [141.30; 144.56] J/mol×K [298.15; 298.15] Show Hide
Cp,liquid 141.30 J/mol×K 298.15 NIST
Cp,liquid 144.56 J/mol×K 298.15 NIST
η [0.0002528; 0.0065358] Pa×s [170.52; 359.22] Show Hide
η 0.0065358 Pa×s 170.52 Joback Calculated Property
η 0.0024921 Pa×s 201.97 Joback Calculated Property
η 0.0012321 Pa×s 233.42 Joback Calculated Property
η 0.0007201 Pa×s 264.87 Joback Calculated Property
η 0.0004717 Pa×s 296.32 Joback Calculated Property
η 0.0003351 Pa×s 327.77 Joback Calculated Property
η 0.0002528 Pa×s 359.22 Joback Calculated Property
ΔfusH [4.20; 4.20] kJ/mol [161.00; 161.00] Show Hide
ΔfusH 4.20 kJ/mol 161.00 NIST
ΔfusH 4.20 kJ/mol 161.00 NIST
ΔfusH 4.20 kJ/mol 161.00 NIST
ΔvapH [32.40; 32.60] kJ/mol [313.00; 335.50] Show Hide
ΔvapH 32.40 kJ/mol 313.00 NIST
ΔvapH 32.60 kJ/mol 335.50 NIST
ΔfusS 26.11 J/mol×K 161.00 NIST
λ [0.12; 0.15] W/m×K [258.35; 329.08] Show Hide
λ 0.15 W/m×K 258.35 Thermal...
λ 0.14 W/m×K 258.52 Thermal...
λ 0.14 W/m×K 258.62 Thermal...
λ 0.14 W/m×K 264.66 Thermal...
λ 0.14 W/m×K 264.80 Thermal...
λ 0.14 W/m×K 264.89 Thermal...
λ 0.14 W/m×K 279.17 Thermal...
λ 0.14 W/m×K 279.31 Thermal...
λ 0.14 W/m×K 279.41 Thermal...
λ 0.13 W/m×K 296.25 Thermal...
λ 0.13 W/m×K 296.51 Thermal...
λ 0.13 W/m×K 296.69 Thermal...
λ 0.13 W/m×K 313.95 Thermal...
λ 0.13 W/m×K 314.22 Thermal...
λ 0.13 W/m×K 314.41 Thermal...
λ 0.12 W/m×K 328.56 Thermal...
λ 0.12 W/m×K 328.84 Thermal...
λ 0.12 W/m×K 329.08 Thermal...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [256.09; 378.34] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.43947e+01
Coefficient B-3.11805e+03
Coefficient C-3.50620e+01
Temperature range, min.256.09
Temperature range, max.378.34
Pvap 1.33 kPa 256.09 Calculated Property
Pvap 3.02 kPa 269.67 Calculated Property
Pvap 6.24 kPa 283.26 Calculated Property
Pvap 11.98 kPa 296.84 Calculated Property
Pvap 21.57 kPa 310.42 Calculated Property
Pvap 36.73 kPa 324.01 Calculated Property
Pvap 59.62 kPa 337.59 Calculated Property
Pvap 92.84 kPa 351.17 Calculated Property
Pvap 139.39 kPa 364.76 Calculated Property
Pvap 202.66 kPa 378.34 Calculated Property

Similar Compounds

1,3,5-Cyclooctatriene. 1,3,7-Octatriene. 1,3,7-Octatriene, E. 1,3,7-Octatriene, Z. 2,4,6,10-Dodecatetraene. cis-4,cis-6-decadiene. trans-4,trans-6-decadiene. trans-4,cis-6-decadiene. 4,6-Decadiene. trans-3,cis-5-nonadiene. trans-3,trans-5-nonadiene. cis-3,trans-5-nonadiene. cis-3,cis-5-nonadiene. trans-2,trans-4-octadiene. 2,4-Octadiene.

Find more compounds similar to 1,3-Cyclohexadiene.

Sources

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