Chemical Properties of 1-Hexyn-3-ol, 3-methyl- (CAS 4339-05-3)

1-Hexyn-3-ol, 3-methyl-

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InChI
InChI=1S/C7H12O/c1-4-6-7(3,8)5-2/h2,8H,4,6H2,1,3H3
InChI Key
DTGUZRPEDLHAAO-UHFFFAOYSA-N
Formula
C7H12O
SMILES
C#CC(C)(O)CCC
Molecular Weight1
112.17
CAS
4339-05-3
Other Names
  • 3-Methyl-1-hexyn-3-ol
  • 3-Methyl-1-hexyne-3-ol
  • 3-Methyl-hexin-(1)-ol-(3)
  • Methylpropylethynylcarbinol
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Physical Properties

Property Value Unit Source
Δf 97.15 kJ/mol Joback Calculated Property
Δfgas -56.89 kJ/mol Joback Calculated Property
Δfus 13.53 kJ/mol Joback Calculated Property
Δvap 46.42 kJ/mol Joback Calculated Property
log10WS -1.92 Crippen Calculated Property
logPoct/wat 1.171 Crippen Calculated Property
McVol 106.760 ml/mol McGowan Calculated Property
Pc 3759.17 kPa Joback Calculated Property
Tboil 409.65 ± 3.00 K NIST
Tc 620.20 K Joback Calculated Property
Tfus 278.86 K Joback Calculated Property
Vc 0.398 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [221.13; 274.35] J/mol×K [438.63; 620.20] Show Hide
Cp,gas 221.13 J/mol×K 438.63 Joback Calculated Property
Cp,gas 231.34 J/mol×K 468.89 Joback Calculated Property
Cp,gas 240.97 J/mol×K 499.15 Joback Calculated Property
Cp,gas 250.06 J/mol×K 529.41 Joback Calculated Property
Cp,gas 258.64 J/mol×K 559.67 Joback Calculated Property
Cp,gas 266.72 J/mol×K 589.93 Joback Calculated Property
Cp,gas 274.35 J/mol×K 620.20 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.37; 205.44] kPa [315.15; 432.15] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.64653e+01
Coefficient B-4.20115e+03
Coefficient C-5.50330e+01
Temperature range, min.315.15
Temperature range, max.432.15
Pvap 1.37 kPa 315.15 Calculated Property
Pvap 2.95 kPa 328.15 Calculated Property
Pvap 5.94 kPa 341.15 Calculated Property
Pvap 11.25 kPa 354.15 Calculated Property
Pvap 20.19 kPa 367.15 Calculated Property
Pvap 34.58 kPa 380.15 Calculated Property
Pvap 56.84 kPa 393.15 Calculated Property
Pvap 90.04 kPa 406.15 Calculated Property
Pvap 138.02 kPa 419.15 Calculated Property
Pvap 205.44 kPa 432.15 Calculated Property

Similar Compounds

3-Methylnon-1-yn-3-ol. 4-Methyl-2-heptyn-4-ol. 3,6-Dimethyl-1-heptyn-3-ol. 4,7-Dimethyl-5-decyne-4,7-diol. 1-Hexyn-3-ol, 3,5-dimethyl-. 1-Ethynylcyclopentanol. 1-Dodecyn-3-ol, 3,7,11-trimethyl-. 1-Hexadecyn-3-ol, 3,7,11,15-tetramethyl-. Cyclohexanol, 1-ethynyl-. C9H16O. 1-Ethynyl-1-cyclooctanol. 1-Hydroxy-1-ethynylcyclododecane. 1-Ethynyl-1-cycloheptanol. 3-Methyl-6-hepten-1-yn-3-ol. 3-Ethyl-5-methyl-1-heptyn-3-ol.

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

Sources

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