Chemical Properties of 1,4-Cyclohexadiene (CAS 628-41-1)

1,4-Cyclohexadiene

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InChI
InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2
InChI Key
UVJHQYIOXKWHFD-UHFFFAOYSA-N
Formula
C6H8
SMILES
C1=CCC=CC1
Molecular Weight1
80.13
CAS
628-41-1
Other Names
  • 1,4-Dihydrobenzene
  • Cyclohexa-1,4-diene
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Physical Properties

Property Value Unit Source
PAff 837.00 kJ/mol NIST
BasG 808.00 kJ/mol NIST
Δcliquid [-3574.08; -3570.50] kJ/mol Show Hide
Δcliquid -3570.50 ± 3.00 kJ/mol NIST
Δcliquid -3574.08 ± 0.48 kJ/mol NIST
Δf 91.72 kJ/mol Joback Calculated Property
Δfgas [100.40; 109.00] kJ/mol Show Hide
Δfgas 100.40 ± 3.10 kJ/mol NIST
Δfgas 109.00 kJ/mol NIST
Δfgas 104.75 ± 0.59 kJ/mol NIST
Δfliquid [66.10; 69.70] kJ/mol Show Hide
Δfliquid 66.10 ± 3.10 kJ/mol NIST
Δfliquid 69.70 ± 0.58 kJ/mol NIST
Δfus 4.50 kJ/mol Joback Calculated Property
Δvap [34.30; 35.10] kJ/mol Show Hide
Δvap 34.30 kJ/mol NIST
Δvap 34.30 kJ/mol NIST
Δvap 35.05 ± 0.04 kJ/mol NIST
Δvap 35.10 kJ/mol NIST
IE [8.65; 8.82] eV Show Hide
IE 8.82 eV NIST
IE 8.82 ± 0.02 eV NIST
IE 8.82 ± 0.02 eV NIST
IE Outlier 8.65 ± 0.05 eV NIST
IE 8.80 eV NIST
IE 8.82 eV NIST
IE 8.82 eV NIST
IE 8.80 eV NIST
IE 8.82 eV NIST
log10WS [-2.06; -1.97]   Show Hide
log10WS -1.97 Aq. Sol...
log10WS -2.06 Estimat...
logPoct/wat 1.893 Crippen Calculated Property
McVol 75.940 ml/mol McGowan Calculated Property
Pc 4540.80 kPa Joback Calculated Property
Inp [685.00; 738.00]   Show Hide
Inp 725.30 NIST
Inp 724.90 NIST
Inp 709.20 NIST
Inp 718.00 NIST
Inp 706.00 NIST
Inp 729.00 NIST
Inp 685.00 NIST
Inp 690.00 NIST
Inp 694.00 NIST
Inp 694.00 NIST
Inp 698.00 NIST
Inp 687.00 NIST
Inp 694.00 NIST
Inp 700.00 NIST
Inp 700.00 NIST
Inp 685.00 NIST
Inp 690.00 NIST
Inp 694.00 NIST
Inp 698.00 NIST
Inp 694.00 NIST
Inp 707.00 NIST
Inp 696.00 NIST
Inp 713.00 NIST
Inp 713.00 NIST
Inp 713.00 NIST
Inp Outlier 738.00 NIST
Inp 706.00 NIST
Inp 713.00 NIST
Inp 708.00 NIST
Inp 708.00 NIST
Inp 692.00 NIST
Inp Outlier 738.00 NIST
I [914.00; 939.00]   Show Hide
I 932.00 NIST
I 939.00 NIST
I 939.00 NIST
I 914.00 NIST
I 939.00 NIST
liquid 189.37 J/mol×K NIST
Tboil [354.70; 362.70] K Show Hide
Tboil 354.70 K NIST
Tboil 362.70 ± 0.20 K NIST
Tboil 362.55 ± 0.30 K NIST
Tc 568.24 K Joback Calculated Property
Tfus [222.83; 351.00] K Show Hide
Tfus 224.05 K Aq. Sol...
Tfus 222.83 ± 0.20 K NIST
Tfus 351.00 ± 4.00 K NIST
Ttriple 224.00 ± 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 [142.20; 145.94] J/mol×K [298.15; 298.15] Show Hide
Cp,liquid 142.20 J/mol×K 298.15 NIST
Cp,liquid 145.94 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 [0.82; 5.72] kJ/mol [192.00; 224.00] Show Hide
ΔfusH 0.82 kJ/mol 192.00 NIST
ΔfusH 5.72 kJ/mol 224.00 NIST
ΔfusH 5.72 kJ/mol 224.00 NIST
ΔvapH [33.90; 34.00] kJ/mol [313.00; 332.00] Show Hide
ΔvapH 33.90 kJ/mol 313.00 NIST
ΔvapH 34.00 kJ/mol 332.00 NIST
ΔfusS [4.25; 25.51] J/mol×K [192.00; 224.00] Show Hide
ΔfusS 4.25 J/mol×K 192.00 NIST
ΔfusS 25.51 J/mol×K 224.00 NIST
λ [0.13; 0.16] W/m×K [258.46; 328.93] Show Hide
λ 0.16 W/m×K 258.46 Thermal...
λ 0.16 W/m×K 258.67 Thermal...
λ 0.16 W/m×K 258.82 Thermal...
λ 0.16 W/m×K 264.86 Thermal...
λ 0.16 W/m×K 265.08 Thermal...
λ 0.16 W/m×K 265.23 Thermal...
λ 0.15 W/m×K 279.38 Thermal...
λ 0.15 W/m×K 279.60 Thermal...
λ 0.15 W/m×K 279.76 Thermal...
λ 0.15 W/m×K 296.20 Thermal...
λ 0.15 W/m×K 296.43 Thermal...
λ 0.15 W/m×K 296.60 Thermal...
λ 0.14 W/m×K 313.90 Thermal...
λ 0.14 W/m×K 314.13 Thermal...
λ 0.14 W/m×K 314.31 Thermal...
λ 0.13 W/m×K 328.51 Thermal...
λ 0.13 W/m×K 328.75 Thermal...
λ 0.13 W/m×K 328.93 Thermal...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [276.86; 366.58] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.42725e+01
Coefficient B-2.23809e+03
Coefficient C-1.16823e+02
Temperature range, min.276.86
Temperature range, max.366.58
Pvap 1.33 kPa 276.86 Calculated Property
Pvap 3.03 kPa 286.83 Calculated Property
Pvap 6.28 kPa 296.80 Calculated Property
Pvap 12.06 kPa 306.77 Calculated Property
Pvap 21.70 kPa 316.74 Calculated Property
Pvap 36.93 kPa 326.70 Calculated Property
Pvap 59.89 kPa 336.67 Calculated Property
Pvap 93.14 kPa 346.64 Calculated Property
Pvap 139.62 kPa 356.61 Calculated Property
Pvap 202.65 kPa 366.58 Calculated Property

Similar Compounds

1,4,7,10-Cyclododecatetraene. 2,5-Heptadiene, (E,Z). cis-2,cis-5-heptadiene. 2,5-Heptadiene, (E,E)-. 1,4-Hexadiene. 1,4-Hexadiene, (Z)-. trans-1,4-Hexadiene. cis-3,cis-6-nonadiene. cis-3,6,9,12,15,18-heneicosahexaene. trans-3,trans-6-nonadiene. n-heneicosa-3,6,9,12,15,18-hexaene. trans-3,cis-6-nonadiene. trans-2,trans-5-octadiene. 2,5-Octadiene. cis-2,cis-5-octadiene.

Find more compounds similar to 1,4-Cyclohexadiene.

Sources

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