Chemical Properties of 1-Hexyne (CAS 693-02-7)

1-Hexyne

InChI
InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3
InChI Key
CGHIBGNXEGJPQZ-UHFFFAOYSA-N
Formula
C6H10
SMILES
C#CCCCC
Molecular Weight1
82.14
CAS
693-02-7
Other Names
  • Hexyne
  • NSC 9709
  • butylacetylene
  • hex-1-yne
  • n-butylacetylene
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Physical Properties

Property Value Unit Source
ω 0.2490 KDB
PAff 799.80 kJ/mol NIST
BasG 774.80 kJ/mol NIST
Δf 222.71 kJ/mol Joback Calculated Property
Δc,grossH 3889.86 kJ/mol KDB
Δc,netH 3670.205 kJ/mol KDB
Δfgas 122.30 ± 1.20 kJ/mol NIST
Δfus 14.27 kJ/mol Joback Calculated Property
Δvap 29.80 kJ/mol Relay (1.0) Calculated Property
IE [9.95; 10.52] eV Show Hide
IE 10.03 ± 0.05 eV NIST
IE 9.95 ± 0.05 eV NIST
IE 10.07 ± 0.02 eV NIST
IE 10.07 ± 0.01 eV NIST
IE 10.52 ± 0.05 eV NIST
log10WS [-2.36; -2.36]   Show Hide
log10WS -2.36 Aq. Solubility Prediction
log10WS -2.36 Estimated Solubility
logPoct/wat 1.810 Crippen Calculated Property
McVol 86.800 ml/mol McGowan Calculated Property
Pc 3690.00 kPa KDB
Inp [583.00; 612.00]   Show Hide
Inp 587.30 NIST
Inp 588.20 NIST
Inp 590.00 NIST
Inp 583.00 NIST
Inp 584.00 NIST
Inp 584.00 NIST
Inp 584.00 NIST
Inp 584.00 NIST
Inp 587.00 NIST
Inp 584.00 NIST
Inp 587.30 NIST
Inp 588.00 NIST
Inp 586.00 NIST
Inp 586.00 NIST
Inp 587.00 NIST
Inp 587.00 NIST
Inp Outlier 610.00 NIST
Inp Outlier 612.00 NIST
Inp 587.00 NIST
Inp 586.00 NIST
Inp Outlier 611.00 NIST
Inp 587.00 NIST
Inp 587.30 NIST
Inp 584.00 NIST
I [827.00; 847.30]   Show Hide
I 827.00 NIST
I 837.00 NIST
I 833.00 NIST
I 847.30 NIST
I 827.00 NIST
Tboil [323.15; 345.15] K Show Hide
Tboil 344.50 K KDB
Tboil 345.00 ± 1.00 K NIST
Tboil 344.50 K NIST
Tboil 344.49 ± 0.30 K NIST
Tboil 344.70 ± 1.00 K NIST
Tboil 344.80 ± 0.40 K NIST
Tboil 344.70 ± 1.00 K NIST
Tboil 344.80 ± 0.30 K NIST
Tboil 344.70 ± 1.50 K NIST
Tboil 343.45 ± 1.00 K NIST
Tboil 344.15 ± 1.50 K NIST
Tboil 344.15 ± 1.50 K NIST
Tboil 344.00 ± 1.00 K NIST
Tboil 344.53 ± 0.30 K NIST
Tboil 344.48 ± 0.20 K NIST
Tboil 344.65 ± 1.00 K NIST
Tboil 345.05 ± 0.50 K NIST
Tboil 343.35 ± 0.70 K NIST
Tboil 344.00 ± 2.00 K NIST
Tboil 344.55 ± 0.30 K NIST
Tboil 344.65 ± 1.50 K NIST
Tboil 345.15 ± 1.50 K NIST
Tboil 344.15 ± 1.50 K NIST
Tboil Outlier 323.15 K NIST
Tboil 344.15 ± 0.50 K NIST
Tboil 344.15 ± 1.00 K NIST
Tboil 343.40 ± 0.70 K NIST
Tboil 343.65 ± 1.50 K NIST
Tboil 343.65 ± 1.50 K NIST
Tboil 344.65 ± 1.00 K NIST
Tboil 344.65 ± 0.70 K NIST
Tboil 344.50 ± 0.30 K NIST
Tboil 344.52 ± 0.40 K NIST
Tboil 344.65 ± 1.50 K NIST
Tboil 343.65 ± 1.50 K NIST
Tboil 344.40 ± 2.00 K NIST
Tc 529.00 K KDB
Tfus [140.75; 141.18] K Show Hide
Tfus 141.00 K KDB
Tfus 141.18 K Aq. Solubility Prediction
Tfus 140.75 ± 0.40 K NIST
Tfus 141.06 ± 0.10 K NIST
Tfus 141.15 ± 1.50 K NIST
Vc 0.334 m3/kmol KDB
Zc 0.2797890 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [138.91; 186.81] J/mol×K [326.80; 501.88] Show Hide
Cp,gas 138.91 J/mol×K 326.80 Joback Calculated Property
Cp,gas 147.77 J/mol×K 355.98 Joback Calculated Property
Cp,gas 156.26 J/mol×K 385.16 Joback Calculated Property
Cp,gas 164.40 J/mol×K 414.34 Joback Calculated Property
Cp,gas 172.20 J/mol×K 443.52 Joback Calculated Property
Cp,gas 179.67 J/mol×K 472.70 Joback Calculated Property
Cp,gas 186.81 J/mol×K 501.88 Joback Calculated Property
ΔvapH [33.40; 34.20] kJ/mol [262.00; 328.00] Show Hide
ΔvapH 34.20 kJ/mol 262.00 NIST
ΔvapH 33.50 kJ/mol 270.00 NIST
ΔvapH 33.40 kJ/mol 328.00 NIST
Pvap [2.72; 96.32] kPa [263.15; 343.15] Show Hide
Pvap 2.72 kPa 263.15 Thermodynamics of isomeric hexynes +MTBE binary mixtures
Pvap 4.89 kPa 273.15 Thermodynamics of isomeric hexynes +MTBE binary mixtures
Pvap 8.36 kPa 283.15 Thermodynamics of isomeric hexynes +MTBE binary mixtures
Pvap 13.67 kPa 293.15 Thermodynamics of isomeric hexynes +MTBE binary mixtures
Pvap 17.22 kPa 298.15 Thermodynamics of isomeric hexynes +MTBE binary mixtures
Pvap 21.50 kPa 303.15 Thermodynamics of isomeric hexynes +MTBE binary mixtures
Pvap 32.65 kPa 313.15 Thermodynamics of isomeric hexynes +MTBE binary mixtures
Pvap 48.09 kPa 323.15 Thermodynamics of isomeric hexynes +MTBE binary mixtures
Pvap 68.90 kPa 333.15 Thermodynamics of isomeric hexynes +MTBE binary mixtures
Pvap 96.32 kPa 343.15 Thermodynamics of isomeric hexynes +MTBE binary mixtures
n0 1.39600 298.15 KDB

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 285.70 K 10.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [251.33; 367.45] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.46089e+01
Coefficient B-3.07754e+03
Coefficient C-3.64370e+01
Temperature range, min.251.33
Temperature range, max.367.45
Pvap 1.33 kPa 251.33 Calculated Property
Pvap 3.00 kPa 264.23 Calculated Property
Pvap 6.19 kPa 277.13 Calculated Property
Pvap 11.86 kPa 290.04 Calculated Property
Pvap 21.35 kPa 302.94 Calculated Property
Pvap 36.39 kPa 315.84 Calculated Property
Pvap 59.17 kPa 328.74 Calculated Property
Pvap 92.35 kPa 341.65 Calculated Property
Pvap 139.00 kPa 354.55 Calculated Property
Pvap 202.67 kPa 367.45 Calculated Property
Pvap [3.99e-07; 3694.84] kPa [141.25; 516.20] KDB Vapor Pressure Data Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A9.50798e+01
Coefficient B-6.95750e+03
Coefficient C-1.22828e+01
Coefficient D1.25260e-05
Temperature range, min.141.25
Temperature range, max.516.20
Pvap 3.99e-07 kPa 141.25 Calculated Property
Pvap 1.47e-03 kPa 182.91 Calculated Property
Pvap 0.17 kPa 224.57 Calculated Property
Pvap 3.47 kPa 266.23 Calculated Property
Pvap 26.92 kPa 307.89 Calculated Property
Pvap 117.94 kPa 349.56 Calculated Property
Pvap 362.61 kPa 391.22 Calculated Property
Pvap 890.72 kPa 432.88 Calculated Property
Pvap 1896.92 kPa 474.54 Calculated Property
Pvap 3694.84 kPa 516.20 Calculated Property

Similar Compounds

1-Heptyne. 1-Octyne. 1-Eicosyne. 1-Nonyne. 1-Heptadecyne. 1-Tridecyne. 1-Decyne. 1-Undecyne. 1-Nonadecyne. 1-Tetradecyne. 1-Pentadecyne. 1-Octadecyne. 1-Dodecyne. 1-Hexadecyne. 1,7-Octadiyne.

Find more compounds similar to 1-Hexyne.

Mixtures

Sources

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