Chemical Properties of 3-Methyl-4-hexyn-3-ol (CAS 6320-68-9)

3-Methyl-4-hexyn-3-ol

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InChI
InChI=1S/C7H12O/c1-4-6-7(3,8)5-2/h8H,5H2,1-3H3
InChI Key
VLRDHNINMBNPDK-UHFFFAOYSA-N
Formula
C7H12O
SMILES
CC#CC(C)(O)CC
Molecular Weight1
112.17
CAS
6320-68-9

Physical Properties

Property Value Unit Source
Δf 76.88 kJ/mol Joback Calculated Property
Δfgas -76.49 kJ/mol Joback Calculated Property
Δfus 13.68 kJ/mol Joback Calculated Property
Δvap 48.71 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 3815.10 kPa Joback Calculated Property
Tboil 457.51 K Joback Calculated Property
Tc 650.27 K Joback Calculated Property
Tfus 337.99 K Joback Calculated Property
Vc 0.398 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [220.44; 275.36] J/mol×K [457.51; 650.27] Show Hide
Cp,gas 220.44 J/mol×K 457.51 Joback Calculated Property
Cp,gas 230.91 J/mol×K 489.64 Joback Calculated Property
Cp,gas 240.81 J/mol×K 521.76 Joback Calculated Property
Cp,gas 250.19 J/mol×K 553.89 Joback Calculated Property
Cp,gas 259.05 J/mol×K 586.01 Joback Calculated Property
Cp,gas 267.43 J/mol×K 618.14 Joback Calculated Property
Cp,gas 275.36 J/mol×K 650.27 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.30; 201.44] kPa [349.15; 477.15] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.64196e+01
Coefficient B-4.55664e+03
Coefficient C-6.71610e+01
Temperature range, min.349.15
Temperature range, max.477.15
Pvap 1.30 kPa 349.15 Calculated Property
Pvap 2.82 kPa 363.37 Calculated Property
Pvap 5.70 kPa 377.59 Calculated Property
Pvap 10.85 kPa 391.82 Calculated Property
Pvap 19.56 kPa 406.04 Calculated Property
Pvap 33.61 kPa 420.26 Calculated Property
Pvap 55.40 kPa 434.48 Calculated Property
Pvap 87.97 kPa 448.71 Calculated Property
Pvap 135.11 kPa 462.93 Calculated Property
Pvap 201.44 kPa 477.15 Calculated Property

Similar Compounds

4,6-Decadiyne-3,8-diol, 3,8-dimethyl-. 3,6-Dimethyl-4-octyn-3,6-diol. 1-Pentyn-3-ol, 3-methyl-. 3,6-Dimethyl-6-hepten-4-yn-3-ol. 4-Methyl-2-heptyn-4-ol. 1-Pentyn-3-ol, 3-ethyl-. C9H16O. 4,7-Dimethyl-5-decyne-4,7-diol. 1-Hexyn-3-ol, 3-methyl-. Amylene hydrate. 3-Methylnon-1-yn-3-ol. 1-Pentyn-3-ol, 3,4-dimethyl-. 3,6-Dimethyl-1-heptyn-3-ol. 2,4,7,9-Tetramethyl-5-decyn-4,7-diol. 3-Pentanol, 3-methyl-.

Find more compounds similar to 3-Methyl-4-hexyn-3-ol.

Sources

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