Chemical Properties of 3-Hexyne-2,5-diol (CAS 3031-66-1)

3-Hexyne-2,5-diol

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h5-8H,1-2H3
InChI Key
KDOWHHULNTXTNS-UHFFFAOYSA-N
Formula
C6H10O2
SMILES
CC(O)C#CC(C)O
Molecular Weight1
114.14
CAS
3031-66-1
Other Names
  • Hexyne-3-diol-2,5
  • 3-Hexyn-2,5-diol
  • hex-3-yne-2,5-diol

Physical Properties

Property Value Unit Source
Δf -76.08 kJ/mol Joback Calculated Property
Δfgas -209.89 kJ/mol Joback Calculated Property
Δfus 15.55 kJ/mol Joback Calculated Property
Δvap 63.68 kJ/mol Joback Calculated Property
log10WS -0.88 Crippen Calculated Property
logPoct/wat -0.249 Crippen Calculated Property
McVol 98.540 ml/mol McGowan Calculated Property
Pc 4862.97 kPa Joback Calculated Property
Inp [161.40; 161.40]   Show Hide
Inp 161.40 NIST
Inp 161.40 NIST
Tboil 529.16 K Joback Calculated Property
Tc 710.97 K Joback Calculated Property
Tfus 355.12 K Joback Calculated Property
Vc 0.359 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [219.64; 260.84] J/mol×K [529.16; 710.97] Show Hide
Cp,gas 219.64 J/mol×K 529.16 Joback Calculated Property
Cp,gas 227.30 J/mol×K 559.46 Joback Calculated Property
Cp,gas 234.63 J/mol×K 589.76 Joback Calculated Property
Cp,gas 241.64 J/mol×K 620.06 Joback Calculated Property
Cp,gas 248.34 J/mol×K 650.36 Joback Calculated Property
Cp,gas 254.74 J/mol×K 680.66 Joback Calculated Property
Cp,gas 260.84 J/mol×K 710.97 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 394.20 K 2.00 NIST

Similar Compounds

3-Hexyn-2-ol. 3-Pentyn-2-ol. 5-Methyl-5-hexen-3-yn-2-ol. 3-Decyn-2-ol. 4-Heptyn-3-ol. 3-Butyn-2-ol. 4-Hexyn-3-ol. 2-Pentyn-1-ol. 3-Hexyn-1-ol. 4-Heptyn-2-ol. 4-Octyn-2-ol. 2-Hexyn-1-ol. 3-Pentyn-1-ol. 3-Hexyne-2,5-diol, 2,5-dimethyl-. 2-Heptyn-4-ol.

Find more compounds similar to 3-Hexyne-2,5-diol.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.

Login Register