Chemical Properties of 1,3,5-Cycloheptatriene (CAS 544-25-2)

1,3,5-Cycloheptatriene

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InChI
InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2
InChI Key
CHVJITGCYZJHLR-UHFFFAOYSA-N
Formula
C7H8
SMILES
C1=CC=CCC=C1
Molecular Weight1
92.14
CAS
544-25-2
Other Names
  • Cyclohepta-1,3,5-triene
  • Cycloheptatriene
  • Tropilidene
  • Tropilidin
  • UN 2603
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Physical Properties

Property Value Unit Source
Δcliquid -4040.00 ± 2.00 kJ/mol NIST
Δf 118.00 kJ/mol Joback Calculated Property
Δfgas 187.00 kJ/mol NIST
Δfus 6.22 kJ/mol Joback Calculated Property
Δvap [38.70; 38.70] kJ/mol Show Hide
Δvap 38.70 ± 0.21 kJ/mol NIST
Δvap 38.70 ± 0.20 kJ/mol NIST
IE [8.03; 8.52] eV Show Hide
IE 8.29 eV NIST
IE 8.03 eV NIST
IE 8.52 eV NIST
IE 8.40 eV NIST
IE 8.20 ± 0.05 eV NIST
IE 8.28 eV NIST
IE 8.50 eV NIST
log10WS -2.15 Aq. Sol...
logPoct/wat 2.059 Crippen Calculated Property
McVol 85.730 ml/mol McGowan Calculated Property
Pc 4333.96 kPa Joback Calculated Property
Inp [108.90; 807.00]   Show Hide
Inp 807.00 NIST
Inp 794.00 NIST
Inp 800.00 NIST
Inp 784.00 NIST
Inp 782.60 NIST
Inp 786.60 NIST
Inp 774.00 NIST
Inp 756.00 NIST
Inp 763.00 NIST
Inp 769.00 NIST
Inp 775.00 NIST
Inp 771.00 NIST
Inp 785.00 NIST
Inp 785.00 NIST
Inp 776.00 NIST
Inp 787.00 NIST
Inp 758.00 NIST
Inp 765.00 NIST
Inp 784.00 NIST
Inp 784.00 NIST
Inp 785.00 NIST
Inp 800.00 NIST
Inp 772.00 NIST
Inp 800.00 NIST
Inp 772.00 NIST
Inp Outlier 108.90 NIST
Inp Outlier 108.90 NIST
I [1056.00; 1089.00]   Show Hide
I 1089.00 NIST
I 1056.00 NIST
I 1089.00 NIST
I 1089.00 NIST
I 1089.00 NIST
gas 315.60 ± 1.10 J/mol×K NIST
liquid 214.64 J/mol×K NIST
Tboil 389.70 K NIST
Tc 604.64 K Joback Calculated Property
Tfus 193.40 K Aq. Sol...
Ttriple [197.91; 197.92] K Show Hide
Ttriple 197.92 ± 0.07 K NIST
Ttriple 197.91 ± 0.07 K NIST
Ttriple 197.92 ± 0.05 K NIST
Vc 0.311 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [134.40; 201.05] J/mol×K [385.53; 604.64] Show Hide
Cp,gas 134.40 J/mol×K 385.53 Joback Calculated Property
Cp,gas 147.36 J/mol×K 422.05 Joback Calculated Property
Cp,gas 159.55 J/mol×K 458.57 Joback Calculated Property
Cp,gas 170.98 J/mol×K 495.08 Joback Calculated Property
Cp,gas 181.69 J/mol×K 531.60 Joback Calculated Property
Cp,gas 191.71 J/mol×K 568.12 Joback Calculated Property
Cp,gas 201.05 J/mol×K 604.64 Joback Calculated Property
Cp,liquid 162.76 J/mol×K 298.15 NIST
η [0.0002247; 0.0099693] Pa×s [179.03; 385.53] Show Hide
η 0.0099693 Pa×s 179.03 Joback Calculated Property
η 0.0031831 Pa×s 213.45 Joback Calculated Property
η 0.0013955 Pa×s 247.86 Joback Calculated Property
η 0.0007480 Pa×s 282.28 Joback Calculated Property
η 0.0004592 Pa×s 316.70 Joback Calculated Property
η 0.0003102 Pa×s 351.11 Joback Calculated Property
η 0.0002247 Pa×s 385.53 Joback Calculated Property
ΔfusH [1.16; 2.35] kJ/mol [154.00; 198.00] Show Hide
ΔfusH 2.35 kJ/mol 154.00 NIST
ΔfusH 1.16 kJ/mol 198.00 NIST
ΔfusH 1.16 kJ/mol 198.00 NIST
ΔvapH [39.40; 40.80] kJ/mol [305.50; 344.50] Show Hide
ΔvapH 40.80 kJ/mol 305.50 NIST
ΔvapH 39.40 kJ/mol 344.50 NIST
ΔfusS [5.86; 15.24] J/mol×K [154.00; 198.00] Show Hide
ΔfusS 15.24 J/mol×K 154.00 NIST
ΔfusS 5.86 J/mol×K 198.00 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr [333.70; 390.20] K [16.30; 99.90] Show Hide
Tboilr 333.70 K 16.30 NIST
Tboilr 390.20 K 99.90 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [280.70; 416.14] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.50540e+01
Coefficient B-3.87828e+03
Coefficient C-1.80620e+01
Temperature range, min.280.70
Temperature range, max.416.14
Pvap 1.33 kPa 280.70 Calculated Property
Pvap 2.97 kPa 295.75 Calculated Property
Pvap 6.08 kPa 310.80 Calculated Property
Pvap 11.63 kPa 325.85 Calculated Property
Pvap 20.92 kPa 340.90 Calculated Property
Pvap 35.72 kPa 355.94 Calculated Property
Pvap 58.28 kPa 370.99 Calculated Property
Pvap 91.34 kPa 386.04 Calculated Property
Pvap 138.20 kPa 401.09 Calculated Property
Pvap 202.65 kPa 416.14 Calculated Property

Similar Compounds

1,3,6-Cyclooctatriene. Cycloheptatrienyl radical. 1,3,6-Heptatriene. (Z,E,E)-2,4,6-nonatriene. 1,3,6-Octatriene. 1,3,6-Octatriene, (E,E)-. 1,3,6-Octatriene, E,Z. 1-(E,Z,Z)-3,5,8-undecatetraene. 1,3,5,8-Undecatetraene. 1-(E,E,Z)-3,5,8-undecatetraene. (E,E)-1,3-(Z)-5-Octatriene. fucoserratene. 1,3-trans,5-cis-Octatriene. 1,3,5-Octatriene. 1,3-cis,5-cis-Octatriene.

Find more compounds similar to 1,3,5-Cycloheptatriene.

Mixtures

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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