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 [0.1460; 0.2490]   Show Hide
ω 0.1460 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω 0.2490 KDB
PAff 799.80 kJ/mol NIST
BasG 774.80 kJ/mol NIST
ΔfG° 222.71 kJ/mol Joback Calculated Property
Δc,grossH 3889.86 kJ/mol KDB
Δc,netH 3670.205 kJ/mol KDB
ΔfH°gas 122.30 ± 1.20 kJ/mol NIST
ΔfusH° 14.27 kJ/mol Joback Calculated Property
ΔvapH° 32.04 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; 3762.20] kPa Show Hide
Pc 3762.20 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
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
Ip [827.00; 847.30]   Show Hide
Ip 827.00 NIST
Ip 837.00 NIST
Ip 833.00 NIST
Ip 847.30 NIST
Ip 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; 539.29] K Show Hide
Tc 539.29 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc 529.00 K KDB
Tfus [140.75; 141.18] K Show Hide
Tfus 141.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 141.00 K KDB
Tfus 141.18 K Aq. Solubility Prediction
Tfus Outlier 140.75 ± 0.40 K NIST
Tfus 141.06 ± 0.10 K NIST
Tfus 141.15 ± 1.50 K NIST
Vc [0.331; 0.334] m3/kmol Show Hide
Vc 0.331 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc 0.334 m3/kmol KDB
Zc 0.2797890 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
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
Cp,gas [121.58; 271.19] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.12130e+01
Coefficient B4.79920e-01
Coefficient C-2.98530e-04
Coefficient D7.85900e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 121.58 J/mol×K 273.00 Calculated Property
Cp,gas 147.11 J/mol×K 353.78 Calculated Property
Cp,gas 169.84 J/mol×K 434.56 Calculated Property
Cp,gas 190.01 J/mol×K 515.33 Calculated Property
Cp,gas 207.86 J/mol×K 596.11 Calculated Property
Cp,gas 223.66 J/mol×K 676.89 Calculated Property
Cp,gas 237.64 J/mol×K 757.67 Calculated Property
Cp,gas 250.06 J/mol×K 838.44 Calculated Property
Cp,gas 261.16 J/mol×K 919.22 Calculated Property
Cp,gas 271.19 J/mol×K 1000.00 Calculated Property
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(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
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(Y) = A + B/T + C·ln(T) + D·T² + E/T²
Y is Pvap in kPa, T in K
Coefficient A9.50798e+01
Coefficient B-6.95750e+03
Coefficient C-1.22828e+01
Coefficient D1.25260e-05
Coefficient E0.00000e+00
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-Tetradecyne. 1-Undecyne. 1-Heptadecyne. 1-Eicosyne. 1-Decyne. 1-Pentadecyne. 1-Hexadecyne. 1-Octadecyne. 1-Nonyne. 1-Tridecyne. 1-Nonadecyne. 1-Dodecyne. 1,7-Octadiyne.

Find more compounds similar to 1-Hexyne.

Mixtures

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