In this study, we discovered an agent called but-3-en-1-ol,
which
has the ability to form a hydrate structure II (sII) in the presence
of methane (CH4). Our study involves studying the crystal
structure, guest distribution, and phase equilibria of the (but-3-en-1-ol
+ CH4) hydrate. The 13C NMR solid-state spectra
of the (but-3-en-1-ol + CH4) hydrate indicate the formation
of the sII hydrate, with the CH4 molecules being encapsulated
in both the large and small cages of the sII hydrate. The synchrotron
powder X-ray diffraction pattern of the (but-3-en-1-ol + CH4) hydrate was analyzed via Rietveld analysis. Consequently, we assigned
the crystal structure of the (but-3-en-1-ol + CH4) hydrate
as the cubic Fd3̅m crystal
structure, with a lattice constant measuring 17.2150 Å. In particular,
we estimated the shortest distance between the but-3-en-1-ol molecule
in the hydrate cages and an oxygen atom in the host water as 2.37
Å, leading us to conclude that the hydroxyl group of the but-3-en-1-ol
molecule forms hydrogen bonds with the host water framework. Finally,
we measured the thermodynamic stability to determine the phase equilibrium
conditions of the binary (but-3-en-1-ol + CH4) hydrate
and found that the equilibrium temperature conditions were slightly
lower compared to those of pure CH4 hydrate.