What features make OpenCL unique to choose over OpenGL with GLSL for calculations? Despite the graphic related terminology and inpractical datatypes, is there any real caveat to
Something that hasn't been mentioned in any answers so far has been speed of execution. If your algorithm can be expressed in OpenGL graphics (e.g. no scattered writes, no local memory, no workgroups, etc.) it will very often run faster than an OpenCL counterpart. My specific experience of this has been doing image filter (gather) kernels across AMD, nVidia, IMG and Qualcomm GPUs. The OpenGL implementations invariably run faster even after hardcore OpenCL kernel optimization. (aside: I suspect this is due to years of hardware and drivers being specifically tuned to graphics orientated workloads.)
My advice would be that if your compute program feels like it maps nicely to the graphics domain then use OpenGL. If not, OpenCL is more general and simpler to express compute problems.
Another point to mention (or to ask) is whether you are writing as a hobbyist (i.e. for yourself) or commercially (i.e. for distribution to others). While OpenGL is supported pretty much everywhere, OpenCL is totally lacking support on mobile devices and, imho, is highly unlikely to appear on Android or iOS in the next few years. If wide cross platform compatibility from a single code base is a goal then OpenGL may be forced upon you.
One notable feature would be scattered writes, another would be the absence of "Windows 7 smartness". Windows 7 will, as you probably know, kill the display driver if OpenGL does not flush for 2 seconds or so (don't nail me down on the exact time, but I think it's 2 secs). This may be annoying if you have a lengthy operation.
Also, OpenCL obviously works with a much greater variety of hardware than just the graphics card, and it does not have a rigid graphics-oriented pipeline with "artificial constraints". It is easier (trivial) to run several concurrent command streams too.
Another major reason is that OpenGL\GLSL are supported only on graphics cards. Although multi-core usage started with using graphics hardware there are many hardware vendors working on multi-core hardware platform targeted for computation. For example see Intels Knights Corner.
Developing code for computation using OpenGL\GLSL will prevent you from using any hardware that is not a graphics card.
Although currently OpenGL would be the better choice for graphics, this is not permanent.
It could be practical for OpenGL to eventually merge as an extension of OpenCL. The two platforms are about 80% the same, but have different syntax quirks, different nomenclature for roughly the same components of the hardware. That means two languages to learn, two APIs to figure out. Graphics driver developers would prefer a merge because they no longer would have to develop for two separate platforms. That leaves more time and resources for driver debugging. ;)
Another thing to consider is that the origins of OpenGL and OpenCL are different: OpenGL began and gained momentum during the early fixed-pipeline-over-a-network days and was slowly appended and deprecated as the technology evolved. OpenCL, in some ways, is an evolution of OpenGL in the sense that OpenGL started being used for numerical processing as the (unplanned) flexibility of GPUs allowed so. "Graphics vs. Computing" is really more of a semantic argument. In both cases you're always trying to map your math operations to hardware with the highest performance possible. There are parts of GPU hardware which vanilla CL won't use but that won't keep a separate extension from doing so.
So how could OpenGL work under CL? Speculatively, triangle rasterizers could be enqueued as a special CL task. Special GLSL functions could be implemented in vanilla OpenCL, then overridden to hardware accelerated instructions by the driver during kernel compilation. Writing a shader in OpenCL, pending the library extensions were supplied, doesn't sound like a painful experience at all.
To call one to have more features than the other doesn't make much sense as they're both gaining 80% the same features, just under different nomenclature. To claim that OpenCL is not good for graphics because it is designed for computing doesn't make sense because graphics processing is computing.