Chemical Properties of 3-Dodecyne (CAS 6790-27-8)

3-Dodecyne

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InChI
InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3-5,7,9-12H2,1-2H3
InChI Key
ZFAGQZXKTQFQLE-UHFFFAOYSA-N
Formula
C12H22
SMILES
CCC#CCCCCCCCC
Molecular Weight1
166.30
CAS
6790-27-8
Other Names
  • 3-C12H22
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Physical Properties

Property Value Unit Source
Δf 252.96 kJ/mol Joback Calculated Property
Δfgas -18.71 kJ/mol Joback Calculated Property
Δfus 29.96 kJ/mol Joback Calculated Property
Δvap 44.46 kJ/mol Joback Calculated Property
IE 9.17 ± 0.02 eV NIST
log10WS -4.64 Crippen Calculated Property
logPoct/wat 4.150 Crippen Calculated Property
McVol 171.340 ml/mol McGowan Calculated Property
Pc 2047.46 kPa Joback Calculated Property
Inp [1210.00; 1238.00]   Show Hide
Inp 1212.00 NIST
Inp Outlier 1238.00 NIST
Inp 1211.00 NIST
Inp 1211.00 NIST
Inp 1210.00 NIST
Inp 1218.00 NIST
Inp 1216.00 NIST
Inp 1216.00 NIST
Inp 1212.00 NIST
Inp 1218.00 NIST
I [1377.10; 1406.00]   Show Hide
I 1382.50 NIST
I 1388.60 NIST
I 1392.50 NIST
I 1406.00 NIST
I 1406.00 NIST
I 1406.00 NIST
I 1406.00 NIST
I 1405.00 NIST
I 1405.00 NIST
I 1377.10 NIST
I 1380.00 NIST
I 1398.50 NIST
I 1382.50 NIST
I 1400.00 NIST
Tboil 482.96 K Joback Calculated Property
Tc 664.00 K Joback Calculated Property
Tfus 331.10 K Joback Calculated Property
Vc 0.669 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [376.85; 465.26] J/mol×K [482.96; 664.00] Show Hide
Cp,gas 376.85 J/mol×K 482.96 Joback Calculated Property
Cp,gas 393.20 J/mol×K 513.13 Joback Calculated Property
Cp,gas 408.87 J/mol×K 543.31 Joback Calculated Property
Cp,gas 423.89 J/mol×K 573.48 Joback Calculated Property
Cp,gas 438.29 J/mol×K 603.66 Joback Calculated Property
Cp,gas 452.07 J/mol×K 633.83 Joback Calculated Property
Cp,gas 465.26 J/mol×K 664.00 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [374.04; 514.54] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.58945e+01
Coefficient B-4.61905e+03
Coefficient C-7.80790e+01
Temperature range, min.374.04
Temperature range, max.514.54
Pvap 1.33 kPa 374.04 Calculated Property
Pvap 2.91 kPa 389.65 Calculated Property
Pvap 5.91 kPa 405.26 Calculated Property
Pvap 11.24 kPa 420.87 Calculated Property
Pvap 20.22 kPa 436.48 Calculated Property
Pvap 34.63 kPa 452.10 Calculated Property
Pvap 56.80 kPa 467.71 Calculated Property
Pvap 89.68 kPa 483.32 Calculated Property
Pvap 136.87 kPa 498.93 Calculated Property
Pvap 202.67 kPa 514.54 Calculated Property

Similar Compounds

3-Eicosyne. 3-Undecyne. 3-Octadecyne. 3-Hexadecyne. 3-Tridecyne. 3-Tetradecyne. 3-Decyne. 5-Octadecyne. 5-Tetradecyne. 5-Tridecyne. 8-Hexadecyne. 9-Eicosyne. 9-Octadecyne. 6-C14H26. 4-Tetradecyne.

Find more compounds similar to 3-Dodecyne.

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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