Chemical Properties of 1-Heptyne (CAS 628-71-7)

1-Heptyne

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InChI
InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3
InChI Key
YVXHZKKCZYLQOP-UHFFFAOYSA-N
Formula
C7H12
SMILES
C#CCCCCC
Molecular Weight1
96.17
CAS
628-71-7
Other Names
  • AMYLACETYLENE
  • hept-1-yne
  • n-C5H11C«equiv»CH
  • n-C5H11C«equiv»CH
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Physical Properties

Property Value Unit Source
ω 0.2930 KDB
Δcliquid -4570.60 kJ/mol NIST
Δf 231.13 kJ/mol Joback Calculated Property
Δc,grossH 4542.99 kJ/mol KDB
Δc,netH 4279.395 kJ/mol KDB
Δfgas [101.70; 103.80] kJ/mol Show Hide
Δfgas 103.80 ± 2.60 kJ/mol NIST
Δfgas 101.70 kJ/mol NIST
Δfliquid [-62.80; 101.10] kJ/mol Show Hide
Δfliquid 101.10 ± 4.00 kJ/mol NIST
Δfliquid -62.80 kJ/mol NIST
Δfus 16.86 kJ/mol Joback Calculated Property
Δvap 31.03 kJ/mol Joback Calculated Property
IE 10.04 ± 0.01 eV NIST
log10WS [-3.01; -3.01]   Show Hide
log10WS -3.01 Aq. Sol...
log10WS -3.01 Estimat...
logPoct/wat 2.200 Crippen Calculated Property
McVol 100.890 ml/mol McGowan Calculated Property
Pc 3300.00 kPa KDB
Inp [684.00; 712.00]   Show Hide
Inp 687.30 NIST
Inp 688.20 NIST
Inp 689.00 NIST
Inp 684.00 NIST
Inp Outlier 711.00 NIST
Inp 685.30 NIST
Inp 684.00 NIST
Inp 684.00 NIST
Inp 684.00 NIST
Inp 684.00 NIST
Inp 686.00 NIST
Inp 684.00 NIST
Inp 687.10 NIST
Inp 687.00 NIST
Inp 686.00 NIST
Inp 686.00 NIST
Inp 686.00 NIST
Inp 686.00 NIST
Inp Outlier 712.00 NIST
Inp 686.00 NIST
Inp 687.00 NIST
Inp 686.00 NIST
I [929.00; 947.00]   Show Hide
I 929.00 NIST
I 938.00 NIST
I 934.00 NIST
I 947.00 NIST
Tboil [360.15; 379.15] K Show Hide
Tboil 372.90 K KDB
Tboil 372.50 ± 0.50 K NIST
Tboil 372.90 K NIST
Tboil 372.99 ± 0.50 K NIST
Tboil 371.15 ± 1.50 K NIST
Tboil 374.00 ± 2.00 K NIST
Tboil 371.65 ± 2.00 K NIST
Tboil 371.15 ± 1.50 K NIST
Tboil 372.65 ± 0.70 K NIST
Tboil 372.89 ± 0.30 K NIST
Tboil 372.89 ± 0.40 K NIST
Tboil 372.93 ± 0.20 K NIST
Tboil 372.15 ± 1.50 K NIST
Tboil 371.65 ± 1.00 K NIST
Tboil 371.75 ± 1.50 K NIST
Tboil 372.15 ± 1.50 K NIST
Tboil 371.15 ± 0.50 K NIST
Tboil 371.65 ± 1.50 K NIST
Tboil 371.65 ± 1.00 K NIST
Tboil 372.65 ± 1.50 K NIST
Tboil 373.75 ± 1.50 K NIST
Tboil 372.65 ± 1.50 K NIST
Tboil 371.15 ± 1.50 K NIST
Tboil 373.15 ± 1.50 K NIST
Tboil 373.15 ± 1.50 K NIST
Tboil Outlier 360.15 K NIST
Tboil 373.15 ± 1.50 K NIST
Tboil 372.90 ± 1.50 K NIST
Tboil Outlier 379.15 ± 5.00 K NIST
Tboil 372.65 ± 2.00 K NIST
Tboil 372.15 ± 2.00 K NIST
Tboil 372.15 ± 2.00 K NIST
Tboil 372.15 ± 2.00 K NIST
Tboil 373.15 ± 3.00 K NIST
Tc 559.70 K KDB
Tfus [192.00; 192.22] K Show Hide
Tfus 192.00 K KDB
Tfus 192.10 ± 0.50 K NIST
Tfus 192.22 ± 0.10 K NIST
Tfus 192.15 ± 1.50 K NIST
Vc 0.390 m3/kmol KDB
Zc 0.2762040 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [172.06; 227.93] J/mol×K [349.68; 524.90] Show Hide
Cp,gas 172.06 J/mol×K 349.68 Joback Calculated Property
Cp,gas 182.39 J/mol×K 378.88 Joback Calculated Property
Cp,gas 192.30 J/mol×K 408.09 Joback Calculated Property
Cp,gas 201.79 J/mol×K 437.29 Joback Calculated Property
Cp,gas 210.88 J/mol×K 466.49 Joback Calculated Property
Cp,gas 219.59 J/mol×K 495.70 Joback Calculated Property
Cp,gas 227.93 J/mol×K 524.90 Joback Calculated Property
ΔvapH 37.90 kJ/mol 354.50 NIST
n0 1.40610 298.15 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [272.46; 398.46] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.38643e+01
Coefficient B-2.91233e+03
Coefficient C-5.79460e+01
Temperature range, min.272.46
Temperature range, max.398.46
Pvap 1.33 kPa 272.46 Calculated Property
Pvap 3.06 kPa 286.46 Calculated Property
Pvap 6.39 kPa 300.46 Calculated Property
Pvap 12.31 kPa 314.46 Calculated Property
Pvap 22.16 kPa 328.46 Calculated Property
Pvap 37.64 kPa 342.46 Calculated Property
Pvap 60.84 kPa 356.46 Calculated Property
Pvap 94.18 kPa 370.46 Calculated Property
Pvap 140.45 kPa 384.46 Calculated Property
Pvap 202.66 kPa 398.46 Calculated Property
Pvap [4.08; 3310.57] kPa [287.15; 559.69] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A8.20864e+01
Coefficient B-6.66117e+03
Coefficient C-1.02999e+01
Coefficient D9.86822e-06
Temperature range, min.287.15
Temperature range, max.559.69
Pvap 4.08 kPa 287.15 Calculated Property
Pvap 15.90 kPa 317.43 Calculated Property
Pvap 47.18 kPa 347.71 Calculated Property
Pvap 115.07 kPa 378.00 Calculated Property
Pvap 243.18 kPa 408.28 Calculated Property
Pvap 462.41 kPa 438.56 Calculated Property
Pvap 813.16 kPa 468.84 Calculated Property
Pvap 1349.53 kPa 499.13 Calculated Property
Pvap 2146.45 kPa 529.41 Calculated Property
Pvap 3310.57 kPa 559.69 Calculated Property

Similar Compounds

1-Octyne. 1-Dodecyne. 1-Tridecyne. 1-Pentadecyne. 1-Eicosyne. 1-Nonyne. 1-Hexadecyne. 1-Undecyne. 1-Octadecyne. 1-Tetradecyne. 1-Decyne. 1-Heptadecyne. 1-Nonadecyne. 1,8-Nonadiyne. 1-Hexyne.

Find more compounds similar to 1-Heptyne.

Mixtures

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.