Chemical Properties of 1-Hexyn-3-ol (CAS 105-31-7)

1-Hexyn-3-ol

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InChI
InChI=1S/C6H10O/c1-3-5-6(7)4-2/h2,6-7H,3,5H2,1H3
InChI Key
LTFTWJYRQNTCHI-UHFFFAOYSA-N
Formula
C6H10O
SMILES
C#CC(O)CCC
Molecular Weight1
98.14
CAS
105-31-7
Other Names
  • 1-Hexyne-3-ol
  • 1-Propylpropargyl alcohol
  • 3-Hydroxy-1-hexyne
  • Hexynol
  • Propylethinylcarbinol
  • hex-1-yn-3-ol
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Physical Properties

Property Value Unit Source
Δf 83.45 kJ/mol Joback Calculated Property
Δfgas -32.78 kJ/mol Joback Calculated Property
Δfus 14.84 kJ/mol Joback Calculated Property
Δvap 45.10 kJ/mol Joback Calculated Property
log10WS -1.50 Crippen Calculated Property
logPoct/wat 0.781 Crippen Calculated Property
McVol 92.670 ml/mol McGowan Calculated Property
Pc 4183.90 kPa Joback Calculated Property
Tboil 415.50 ± 0.50 K NIST
Tc 594.25 K Joback Calculated Property
Tfus 250.17 K Joback Calculated Property
Vc 0.346 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [180.65; 224.88] J/mol×K [418.54; 594.25] Show Hide
Cp,gas 180.65 J/mol×K 418.54 Joback Calculated Property
Cp,gas 188.90 J/mol×K 447.83 Joback Calculated Property
Cp,gas 196.77 J/mol×K 477.11 Joback Calculated Property
Cp,gas 204.30 J/mol×K 506.40 Joback Calculated Property
Cp,gas 211.48 J/mol×K 535.68 Joback Calculated Property
Cp,gas 218.34 J/mol×K 564.97 Joback Calculated Property
Cp,gas 224.88 J/mol×K 594.25 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.31; 204.66] kPa [319.15; 438.15] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.64587e+01
Coefficient B-4.24882e+03
Coefficient C-5.66590e+01
Temperature range, min.319.15
Temperature range, max.438.15
Pvap 1.31 kPa 319.15 Calculated Property
Pvap 2.85 kPa 332.37 Calculated Property
Pvap 5.78 kPa 345.59 Calculated Property
Pvap 10.99 kPa 358.82 Calculated Property
Pvap 19.82 kPa 372.04 Calculated Property
Pvap 34.08 kPa 385.26 Calculated Property
Pvap 56.20 kPa 398.48 Calculated Property
Pvap 89.28 kPa 411.71 Calculated Property
Pvap 137.20 kPa 424.93 Calculated Property
Pvap 204.66 kPa 438.15 Calculated Property

Similar Compounds

1-Heptyn-3-ol. 2-Heptyn-4-ol. 1-Octyn-3-ol. 5-Methyl-1-hexyn-3-ol. 1-Heptyn-4-ol. Dodec-5-yne-1,4-diol. 1-Undecyn-4-ol. 2-Methyl-5-octyn-4-ol. 5-Hexyn-3-ol. 1-Pentyn-3-ol. 2-Pentanol. (R)-(-)-2-Pentanol. (S)-(+)-2-Pentanol. 1-Hexyn-3-ol, 3-methyl-. 3-Hexanol.

Find more compounds similar to 1-Hexyn-3-ol.

Sources

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