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The calculation itself is really somewhat pointless unless your an engineer designing an engine. Thats why we have the simple compression test, so we dont have to do any complex math. To name a few factors off the top of my head, your going to have to take into consideration, atmospheric pressure, pressure inside the cylinder (FI PSI or NA), then you have the fuel being burned... You need to know the chemistry of the fuel your burning, what octane, how fast its burning/heating up, etc. You also need to understand the physics behind a chemical explosion, which is energy being released (as heat from a chemical bond being broken down in this case). In the chamber, there is a controlled explosion. As the explosion proceeds outward, the temperature rises drastically, which causes the air to expand which also effect PSI. Temp raises with pressure while volume remains constant. I could go on for awhile about this crap, but i think you get the picture.
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