Chemical Properties of 1-Octyne (CAS 629-05-0)

1-Octyne

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InChI
InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3
InChI Key
UMIPWJGWASORKV-UHFFFAOYSA-N
Formula
C8H14
SMILES
C#CCCCCCC
Molecular Weight1
110.20
CAS
629-05-0
Other Names
  • HEXYLACETYLENE
  • Octyne-1
  • oct-1-yne
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Physical Properties

Property Value Unit Source
Δf 239.55 kJ/mol Joback Calculated Property
Δfgas 80.70 ± 3.60 kJ/mol NIST
Δfus 19.45 kJ/mol Joback Calculated Property
Δvap [42.30; 42.34] kJ/mol Show Hide
Δvap 42.34 kJ/mol NIST
Δvap 42.30 ± 0.10 kJ/mol NIST
IE 9.95 ± 0.02 eV NIST
log10WS [-3.66; -3.66]   Show Hide
log10WS -3.66 Aq. Sol...
log10WS -3.66 Estimat...
logPoct/wat 2.590 Crippen Calculated Property
McVol 114.980 ml/mol McGowan Calculated Property
Pc 2960.12 kPa Joback Calculated Property
Inp [783.00; 812.00]   Show Hide
Inp 783.52 NIST
Inp 783.52 NIST
Inp 783.60 NIST
Inp 787.50 NIST
Inp 788.10 NIST
Inp 789.00 NIST
Inp 783.00 NIST
Inp 812.00 NIST
Inp 811.00 NIST
Inp 784.50 NIST
Inp 784.00 NIST
Inp 784.00 NIST
Inp 784.00 NIST
Inp 784.00 NIST
Inp 784.00 NIST
Inp 785.80 NIST
Inp 786.00 NIST
Inp 812.00 NIST
Inp 797.00 NIST
Inp 811.00 NIST
I [1031.00; 1047.10]   Show Hide
I 1031.00 NIST
I 1036.00 NIST
I 1034.00 NIST
I 1047.10 NIST
Tboil 372.56 K Joback Calculated Property
Tc 547.48 K Joback Calculated Property
Tfus [193.65; 200.38] K Show Hide
Tfus 200.38 K Aq. Sol...
Tfus 193.67 ± 0.10 K NIST
Tfus 193.65 ± 0.30 K NIST
Tfus 194.15 ± 1.50 K NIST
Vc 0.446 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [207.74; 270.87] J/mol×K [372.56; 547.48] Show Hide
Cp,gas 207.74 J/mol×K 372.56 Joback Calculated Property
Cp,gas 219.42 J/mol×K 401.71 Joback Calculated Property
Cp,gas 230.61 J/mol×K 430.87 Joback Calculated Property
Cp,gas 241.34 J/mol×K 460.02 Joback Calculated Property
Cp,gas 251.62 J/mol×K 489.17 Joback Calculated Property
Cp,gas 261.46 J/mol×K 518.33 Joback Calculated Property
Cp,gas 270.87 J/mol×K 547.48 Joback Calculated Property
ΔvapH [35.83; 38.50] kJ/mol [378.50; 399.40] Show Hide
ΔvapH 38.50 kJ/mol 378.50 NIST
ΔvapH 35.83 kJ/mol 399.40 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [293.11; 426.24] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.39482e+01
Coefficient B-3.12653e+03
Coefficient C-6.42400e+01
Temperature range, min.293.11
Temperature range, max.426.24
Pvap 1.33 kPa 293.11 Calculated Property
Pvap 3.06 kPa 307.90 Calculated Property
Pvap 6.37 kPa 322.69 Calculated Property
Pvap 12.26 kPa 337.49 Calculated Property
Pvap 22.06 kPa 352.28 Calculated Property
Pvap 37.48 kPa 367.07 Calculated Property
Pvap 60.62 kPa 381.86 Calculated Property
Pvap 93.94 kPa 396.66 Calculated Property
Pvap 140.25 kPa 411.45 Calculated Property
Pvap 202.63 kPa 426.24 Calculated Property
Pvap [25.95; 103.40] kPa [357.15; 400.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A-2.39993e+00
Coefficient B-4.34412e+03
Coefficient C3.22566e+00
Coefficient D-8.94889e-06
Temperature range, min.357.15
Temperature range, max.400.15
Pvap 25.95 kPa 357.15 Calculated Property
Pvap 30.84 kPa 361.93 Calculated Property
Pvap 36.47 kPa 366.71 Calculated Property
Pvap 42.90 kPa 371.48 Calculated Property
Pvap 50.24 kPa 376.26 Calculated Property
Pvap 58.55 kPa 381.04 Calculated Property
Pvap 67.93 kPa 385.82 Calculated Property
Pvap 78.46 kPa 390.59 Calculated Property
Pvap 90.26 kPa 395.37 Calculated Property
Pvap 103.40 kPa 400.15 Calculated Property

Similar Compounds

1-Eicosyne. 1-Pentadecyne. 1-Undecyne. 1-Tridecyne. 1-Nonyne. 1-Hexadecyne. 1-Decyne. 1-Heptadecyne. 1-Tetradecyne. 1-Octadecyne. 1-Dodecyne. 1-Nonadecyne. 1-Heptyne. 1,10-undecadiyne. 1,11-Dodecadiyne.

Find more compounds similar to 1-Octyne.

Mixtures

Sources

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