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

1-Octyne

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
  • Octyne-1
  • hexylacetylene
  • oct-1-yne
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Physical Properties

Property Value Unit Source
ω 0.2619 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ΔfG° 239.55 kJ/mol Joback Calculated Property
ΔfH°gas 80.70 ± 3.60 kJ/mol NIST
ΔfusH° 19.45 kJ/mol Joback Calculated Property
ΔvapH° [42.30; 42.34] kJ/mol Show Hide
ΔvapH° 42.34 kJ/mol NIST
ΔvapH° 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. Solubility Prediction
log10WS -3.66 Estimated Solubility
logPoct/wat 2.590 Crippen Calculated Property
McVol 114.980 ml/mol McGowan Calculated Property
Pc 3100.55 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
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 Outlier 812.00 NIST
Inp Outlier 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 Outlier 812.00 NIST
Inp 797.00 NIST
Inp Outlier 811.00 NIST
Inp 783.52 NIST
Inp 789.00 NIST
Inp 784.00 NIST
Inp 785.80 NIST
Inp 797.00 NIST
Ip [1031.00; 1047.10]   Show Hide
Ip 1031.00 NIST
Ip 1036.00 NIST
Ip 1034.00 NIST
Ip 1047.10 NIST
Tboil [397.65; 401.15] K Show Hide
Tboil 400.70 K NIST
Tboil 400.50 ± 0.50 K NIST
Tboil 399.40 K NIST
Tboil 399.40 K NIST
Tboil 399.45 ± 0.60 K NIST
Tboil Outlier 401.15 ± 4.00 K NIST
Tboil 399.00 ± 2.00 K NIST
Tboil 399.35 ± 0.30 K NIST
Tboil 399.28 ± 0.30 K NIST
Tboil 399.15 ± 0.60 K NIST
Tboil 398.15 ± 1.50 K NIST
Tboil 399.15 ± 1.50 K NIST
Tboil 399.40 ± 0.20 K NIST
Tboil 399.32 ± 0.50 K NIST
Tboil 399.32 ± 0.20 K NIST
Tboil 399.35 ± 0.70 K NIST
Tboil 399.15 ± 2.00 K NIST
Tboil 398.15 ± 1.50 K NIST
Tboil 397.65 ± 1.50 K NIST
Tboil 399.15 ± 1.50 K NIST
Tboil 399.15 ± 1.50 K NIST
Tboil 399.00 ± 1.00 K NIST
Tboil 399.65 ± 1.50 K NIST
Tboil 397.65 ± 1.50 K NIST
Tc 598.46 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tfus [193.65; 200.38] K Show Hide
Tfus 194.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 200.38 K Aq. Solubility Prediction
Tfus 193.67 ± 0.10 K NIST
Tfus 193.65 ± 0.30 K NIST
Tfus 194.15 ± 1.50 K NIST
Vc 0.441 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
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
Cp,gas [164.01; 374.37] 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 A9.39500e+00
Coefficient B6.69920e-01
Coefficient C-4.07330e-04
Coefficient D1.02390e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 164.01 J/mol×K 273.00 Calculated Property
Cp,gas 199.95 J/mol×K 353.78 Calculated Property
Cp,gas 232.00 J/mol×K 434.56 Calculated Property
Cp,gas 260.47 J/mol×K 515.33 Calculated Property
Cp,gas 285.69 J/mol×K 596.11 Calculated Property
Cp,gas 307.98 J/mol×K 676.89 Calculated Property
Cp,gas 327.67 J/mol×K 757.67 Calculated Property
Cp,gas 345.09 J/mol×K 838.44 Calculated Property
Cp,gas 360.55 J/mol×K 919.22 Calculated Property
Cp,gas 374.37 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [293.11; 426.24] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
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 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 A-2.39993e+00
Coefficient B-4.34412e+03
Coefficient C3.22566e+00
Coefficient D-8.94889e-06
Coefficient E0.00000e+00
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-Tridecyne. 1-Nonyne. 1-Tetradecyne. 1-Octadecyne. 1-Heptadecyne. 1-Pentadecyne. 1-Nonadecyne. 1-Undecyne. 1-Dodecyne. 1-Decyne. 1-Eicosyne. 1-Hexadecyne. 1-Heptyne. 1,9-Decadiyne. 1,11-Dodecadiyne.

Find more compounds similar to 1-Octyne.

Mixtures

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