Chemical Properties of 1,5-Hexadiyne (CAS 628-16-0)

1,5-Hexadiyne

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InChI
InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H,5-6H2
InChI Key
YFIBSNDOVCWPBL-UHFFFAOYSA-N
Formula
C6H6
SMILES
C#CCCC#C
Molecular Weight1
78.11
CAS
628-16-0
Other Names
  • Bipropargyl
  • Dipropargyl
  • HCCCH2CH2CCH
  • hexa-1,5-diyne
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Physical Properties

Property Value Unit Source
Δf 445.78 kJ/mol Joback Calculated Property
Δfgas 416.63 kJ/mol Joback Calculated Property
Δfus 17.25 kJ/mol Joback Calculated Property
Δvap 28.67 kJ/mol Joback Calculated Property
IE [9.87; 10.48] eV Show Hide
IE 9.93 ± 0.05 eV NIST
IE 9.98 ± 0.05 eV NIST
IE 9.90 ± 0.02 eV NIST
IE 9.87 ± 0.03 eV NIST
IE 10.35 eV NIST
IE 10.00 eV NIST
IE 10.48 eV NIST
log10WS -1.92 Crippen Calculated Property
logPoct/wat 1.033 Crippen Calculated Property
McVol 78.200 ml/mol McGowan Calculated Property
Pc 4456.32 kPa Joback Calculated Property
Inp [680.00; 680.00]   Show Hide
Inp 680.00 NIST
Inp 680.00 NIST
Tboil [358.60; 361.00] K Show Hide
Tboil 359.00 K NIST
Tboil 359.15 ± 1.50 K NIST
Tboil 361.00 ± 0.15 K NIST
Tboil 358.60 ± 3.00 K NIST
Tboil 360.00 ± 6.00 K NIST
Tc 505.20 K Joback Calculated Property
Tfus 267.00 ± 4.00 K NIST
Vc 0.295 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [120.84; 157.35] J/mol×K [316.92; 505.20] Show Hide
Cp,gas 120.84 J/mol×K 316.92 Joback Calculated Property
Cp,gas 127.81 J/mol×K 348.30 Joback Calculated Property
Cp,gas 134.41 J/mol×K 379.68 Joback Calculated Property
Cp,gas 140.64 J/mol×K 411.06 Joback Calculated Property
Cp,gas 146.53 J/mol×K 442.44 Joback Calculated Property
Cp,gas 152.09 J/mol×K 473.82 Joback Calculated Property
Cp,gas 157.35 J/mol×K 505.20 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [261.41; 384.30] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.34210e+01
Coefficient B-2.60510e+03
Coefficient C-6.30560e+01
Temperature range, min.261.41
Temperature range, max.384.30
Pvap 1.33 kPa 261.41 Calculated Property
Pvap 3.11 kPa 275.06 Calculated Property
Pvap 6.53 kPa 288.72 Calculated Property
Pvap 12.62 kPa 302.37 Calculated Property
Pvap 22.71 kPa 316.03 Calculated Property
Pvap 38.49 kPa 329.68 Calculated Property
Pvap 61.95 kPa 343.34 Calculated Property
Pvap 95.41 kPa 356.99 Calculated Property
Pvap 141.40 kPa 370.65 Calculated Property
Pvap 202.67 kPa 384.30 Calculated Property

Similar Compounds

HCCCH2CH()CCH. 4-Cyano-1-butyne. 1,5-Octadiyne. 2,6-Octadiyne. 1,5,9-Cyclododecatriyne. 1-Pentyne. 1-Butyne. 1,6-Heptadiyne. Pent-1-yn-3-yl. 1,3-Hexadiyne. 2-Pentyne. 3-Hexyne. 1,6-Octadiyne. 3,5-Octadiyne. 1,4-Octadiyne.

Find more compounds similar to 1,5-Hexadiyne.

Sources

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