Chemical Properties of 6-Dodecyne (CAS 6975-99-1)

6-Dodecyne

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InChI
InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3-10H2,1-2H3
InChI Key
IHPFQAOOSAGSPN-UHFFFAOYSA-N
Formula
C12H22
SMILES
CCCCCC#CCCCCC
Molecular Weight1
166.30
CAS
6975-99-1
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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 [9.06; 9.09] eV Show Hide
IE 9.06 ± 0.03 eV NIST
IE 9.09 ± 0.01 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 [1200.00; 1224.00]   Show Hide
Inp 1200.00 NIST
Inp Outlier 1224.00 NIST
Inp 1200.00 NIST
Inp 1200.00 NIST
Inp 1200.00 NIST
Inp 1207.00 NIST
Inp 1206.00 NIST
Inp 1206.00 NIST
I [1353.70; 1383.00]   Show Hide
I 1381.00 NIST
I 1382.00 NIST
I 1382.00 NIST
I 1382.00 NIST
I 1383.00 NIST
I 1383.00 NIST
I 1353.70 NIST
I 1357.70 NIST
I 1374.00 NIST
I 1360.80 NIST
I 1375.90 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
ΔvapH 60.90 kJ/mol 380.50 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 373.00 K 0.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [371.28; 515.42] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.56217e+01
Coefficient B-4.53605e+03
Coefficient C-7.54660e+01
Temperature range, min.371.28
Temperature range, max.515.42
Pvap 1.33 kPa 371.28 Calculated Property
Pvap 2.93 kPa 387.30 Calculated Property
Pvap 5.96 kPa 403.31 Calculated Property
Pvap 11.36 kPa 419.33 Calculated Property
Pvap 20.44 kPa 435.34 Calculated Property
Pvap 34.96 kPa 451.36 Calculated Property
Pvap 57.25 kPa 467.37 Calculated Property
Pvap 90.19 kPa 483.39 Calculated Property
Pvap 137.27 kPa 499.40 Calculated Property
Pvap 202.64 kPa 515.42 Calculated Property

Similar Compounds

5-Undecyne. 4-Decyne. 3-Nonyne. 2-Octyne. 5-Dodecyne. 7-Tetradecyne. 6-Tridecyne. 6-C14H26. 5-Octadecyne. 8-Hexadecyne. 5-Tridecyne. 9-Eicosyne. 4-Undecyne. 9-Octadecyne. 5-Tetradecyne.

Find more compounds similar to 6-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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