Chemical Properties of 1,5-Hexadien-3-yne (CAS 821-08-9)

1,5-Hexadien-3-yne

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InChI
InChI=1S/C6H6/c1-3-5-6-4-2/h3-4H,1-2H2
InChI Key
AUBDSFLQOBEOPX-UHFFFAOYSA-N
Formula
C6H6
SMILES
C=CC#CC=C
Molecular Weight1
78.11
CAS
821-08-9
Other Names
  • 1,5-Hexadiene-3-yne
  • CH2=CHC«equiv»CCH=CH2
  • CH2=CHC«equiv»CCH=CH2
  • Divinylacetylene
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Physical Properties

Property Value Unit Source
Δf 378.12 kJ/mol Joback Calculated Property
Δfgas 355.99 kJ/mol Joback Calculated Property
Δfus 11.86 kJ/mol Joback Calculated Property
Δvap 29.76 kJ/mol Joback Calculated Property
IE [8.50; 10.50] eV Show Hide
IE 8.50 ± 0.02 eV NIST
IE 8.50 ± 0.02 eV NIST
IE 10.50 eV NIST
log10WS -1.84 Crippen Calculated Property
logPoct/wat 1.362 Crippen Calculated Property
McVol 78.200 ml/mol McGowan Calculated Property
Pc 4162.33 kPa Joback Calculated Property
Inp [679.00; 679.00]   Show Hide
Inp 679.00 NIST
Inp 679.00 NIST
Tboil 357.90 ± 1.50 K NIST
Tc 536.61 K Joback Calculated Property
Tfus 259.96 K Joback Calculated Property
Vc 0.295 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [112.63; 152.71] J/mol×K [339.04; 536.61] Show Hide
Cp,gas 112.63 J/mol×K 339.04 Joback Calculated Property
Cp,gas 120.20 J/mol×K 371.97 Joback Calculated Property
Cp,gas 127.39 J/mol×K 404.90 Joback Calculated Property
Cp,gas 134.22 J/mol×K 437.82 Joback Calculated Property
Cp,gas 140.71 J/mol×K 470.75 Joback Calculated Property
Cp,gas 146.86 J/mol×K 503.68 Joback Calculated Property
Cp,gas 152.71 J/mol×K 536.61 Joback Calculated Property
ΔvapH 40.40 kJ/mol 290.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [0.15; 202.64] kPa [223.00; 410.87] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A8.17183e+00
Coefficient B-7.50409e+02
Coefficient C-1.48526e+02
Temperature range, min.223.00
Temperature range, max.410.87
Pvap 0.15 kPa 223.00 Calculated Property
Pvap 1.35 kPa 243.87 Calculated Property
Pvap 5.56 kPa 264.75 Calculated Property
Pvap 14.85 kPa 285.62 Calculated Property
Pvap 30.62 kPa 306.50 Calculated Property
Pvap 53.30 kPa 327.37 Calculated Property
Pvap 82.64 kPa 348.25 Calculated Property
Pvap 117.93 kPa 369.12 Calculated Property
Pvap 158.25 kPa 390.00 Calculated Property
Pvap 202.64 kPa 410.87 Calculated Property

Similar Compounds

1-Penten-3-yne. 1-Tridecene-3,5,7,9,11-pentayne. 1-Buten-3-yne. 1,3,7-Octatrien-5-yne. 1-Hexen-3-yne. Pent-1-en-4-yn-3-yl radical. 1,6-Heptadien-3-yne. 1-Methylthio-3-buten-1-yne. 1-Oxoprop-2-enyl. (Z)-3,5-Hexadien-1-yne. 1,3-Hexadien-5-yne. (E)-3,5-Hexadien-1-yne. (E)-1,11-Tridecadiene-3,5,7,9-tetrayne. 1,11(Z)-Tridecadien-3,5,7,9-tetrayne. Hex-3-en-1,5-diyne.

Find more compounds similar to 1,5-Hexadien-3-yne.

Sources

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