Chemical Properties of 3-Octyne (CAS 15232-76-5)

3-Octyne

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InChI
InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-5,7H2,1-2H3
InChI Key
UDEISTCPVNLKRJ-UHFFFAOYSA-N
Formula
C8H14
SMILES
CCC#CCCCC
Molecular Weight1
110.20
CAS
15232-76-5
Other Names
  • 1-ETHYL-2-BUTYLACETYLENE
  • BUTYLETHYLACETYLENE
  • C4H9C«equiv»CC2H5
  • C4H9C«equiv»CC2H5
  • Ethylbutylacetylene
  • oct-3-yne

Physical Properties

Property Value Unit Source
Δf 219.28 kJ/mol Joback Calculated Property
Δfgas 62.50 ± 1.80 kJ/mol NIST
Δfus 19.60 kJ/mol Joback Calculated Property
Δvap 43.95 kJ/mol NIST
IE [9.22; 9.22] eV Show Hide
IE 9.22 ± 0.01 eV NIST
IE 9.22 ± 0.02 eV NIST
IE 9.22 ± 0.01 eV NIST
log10WS -2.97 Crippen Calculated Property
logPoct/wat 2.590 Crippen Calculated Property
McVol 114.980 ml/mol McGowan Calculated Property
Pc 2999.15 kPa Joback Calculated Property
Inp [815.00; 843.00]   Show Hide
Inp 819.28 NIST
Inp 819.29 NIST
Inp 819.37 NIST
Inp 818.00 NIST
Inp Outlier 843.00 NIST
Inp 820.70 NIST
Inp 817.00 NIST
Inp 816.00 NIST
Inp 816.00 NIST
Inp 815.00 NIST
Inp 818.00 NIST
Inp 821.00 NIST
I [1012.00; 1024.90]   Show Hide
I 1012.00 NIST
I 1013.00 NIST
I 1012.00 NIST
I 1024.90 NIST
Tboil 391.44 K Joback Calculated Property
Tc 578.71 K Joback Calculated Property
Tfus [162.71; 169.25] K Show Hide
Tfus 162.71 ± 2.00 K NIST
Tfus 169.25 ± 0.30 K NIST
Tfus 168.15 ± 1.50 K NIST
Vc 0.446 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [208.39; 273.81] J/mol×K [391.44; 578.71] Show Hide
Cp,gas 208.39 J/mol×K 391.44 Joback Calculated Property
Cp,gas 220.42 J/mol×K 422.65 Joback Calculated Property
Cp,gas 231.99 J/mol×K 453.86 Joback Calculated Property
Cp,gas 243.10 J/mol×K 485.07 Joback Calculated Property
Cp,gas 253.76 J/mol×K 516.28 Joback Calculated Property
Cp,gas 264.00 J/mol×K 547.49 Joback Calculated Property
Cp,gas 273.81 J/mol×K 578.71 Joback Calculated Property
ΔvapH [36.94; 39.70] kJ/mol [384.50; 406.30] Show Hide
ΔvapH 39.70 kJ/mol 384.50 NIST
ΔvapH 36.94 kJ/mol 406.30 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [298.33; 433.63] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.39358e+01
Coefficient B-3.17008e+03
Coefficient C-6.60620e+01
Temperature range, min.298.33
Temperature range, max.433.63
Pvap 1.33 kPa 298.33 Calculated Property
Pvap 3.06 kPa 313.36 Calculated Property
Pvap 6.37 kPa 328.40 Calculated Property
Pvap 12.26 kPa 343.43 Calculated Property
Pvap 22.07 kPa 358.46 Calculated Property
Pvap 37.50 kPa 373.50 Calculated Property
Pvap 60.65 kPa 388.53 Calculated Property
Pvap 93.98 kPa 403.56 Calculated Property
Pvap 140.27 kPa 418.60 Calculated Property
Pvap 202.63 kPa 433.63 Calculated Property
Pvap [26.16; 103.11] kPa [364.15; 407.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.67578e+01
Coefficient B-7.63027e+03
Coefficient C-9.02395e+00
Coefficient D5.12376e-06
Temperature range, min.364.15
Temperature range, max.407.00
Pvap 26.16 kPa 364.15 Calculated Property
Pvap 31.04 kPa 368.91 Calculated Property
Pvap 36.65 kPa 373.67 Calculated Property
Pvap 43.05 kPa 378.43 Calculated Property
Pvap 50.33 kPa 383.19 Calculated Property
Pvap 58.58 kPa 387.96 Calculated Property
Pvap 67.88 kPa 392.72 Calculated Property
Pvap 78.34 kPa 397.48 Calculated Property
Pvap 90.05 kPa 402.24 Calculated Property
Pvap 103.11 kPa 407.00 Calculated Property

Similar Compounds

5-Decyne. 4-Nonyne. 2-Heptyne. 5,9-Tetradecadiyne. 3-Nonyne. 3,9-Dodecadiyne. 6-Dodecyne. 5-Undecyne. 4-Decyne. 1,5-Decadiyne. 2-Octyne. 3-Decyne. 3-Hexadecyne. 3-Octadecyne. 3-Undecyne.

Find more compounds similar to 3-Octyne.

Sources

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

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