Chemical Properties of 2,5-Dihydroperoxy-2,5-dimethylhex-3-yne (CAS 3491-36-9)

2,5-Dihydroperoxy-2,5-dimethylhex-3-yne

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InChI
InChI=1S/C8H14O4/c1-7(2,11-9)5-6-8(3,4)12-10/h9-10H,1-4H3
InChI Key
VHRZZWMONXYKJP-UHFFFAOYSA-N
Formula
C8H14O4
SMILES
CC(C)(C#CC(C)(C)OO)OO
Molecular Weight1
174.19
CAS
3491-36-9
Other Names
  • Hydroperoxide, (1,1,4,4-tetramethyl-2-butyne-1,4-diyl)bis-
  • Hydroperoxide, 1,1'-(1,1,4,4-tetramethyl-2-butyne-1,4-diyl)bis-
Sources

Physical Properties

Property Value Unit Source
Δcsolid -4856.80 kJ/mol NIST
Δf -258.68 kJ/mol Joback Calculated Property
Δfgas -522.55 kJ/mol Joback Calculated Property
Δfsolid -257.60 ± 2.80 kJ/mol NIST
Δfus 15.32 kJ/mol Joback Calculated Property
Δsub 127.40 ± 1.80 kJ/mol NIST
Δvap 71.14 kJ/mol Joback Calculated Property
logPoct/wat 1.526 Crippen Calculated Property
Pc 3727.11 kPa Joback Calculated Property
Tboil 614.18 K Joback Calculated Property
Tc 802.51 K Joback Calculated Property
Tfus 456.96 K Joback Calculated Property
Vc 0.497 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 359.45 J/mol×K 614.18 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
#C- 2
-O- (nonring) 2
-OH (alcohol) 2
-CH3 4
>C< 2

Similar Compounds

3-Hexyne-2,5-diol, 2,5-dimethyl-. Dimethylvinylethynylhydroperoxide. 3,6-Dimethyl-4-octyn-3,6-diol. 4,7-Dimethyl-5-decyne-4,7-diol. t-Butyldimethylvinylethynylperoxide. 3-Hexyne-2,5-diol. 2-Methyl-3-pentyn-2-ol. 2,4,7,9-Tetramethyl-5-decyn-4,7-diol. 5-Hexen-3-yn-2-ol, 2-methyl-. 3-Methyl-4-hexyn-3-ol. 3-Hexyn-2-ol. 4-Heptyn-3-ol. 3,6-Dimethyl-6-hepten-4-yn-3-ol. 2,7-Dimethyloctadiyne-3,5-diol-2,7. 4-Hexyn-3-ol.

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