Table 1.

Comparison of Coarse Grained (CG) model with All Atomistic (AA) and literature data^a.

Molecule	Density from literature	Density from atomistic simulation	Obtained density	log P from literature	Obtained log P
Geranic Acid	97045	987.36 (0.17)	955.06 (0.12)	3.7045	3.56 (0.07)
Geraniol	88944	864.09 (0.06)	870.8 (0.08)	3.5644	3.00 (0.09)
Isopropyl Palmitate	85246	884.74 (0.07)	857.91 (0.17)	8.1646	10.94 (0.10)
Monoolein	97047	946.29 (0.26)	964.65 (0.09)	6.4047	8.88 (0.10)
Limonene	84148	844.05 (0.07)	859.56 (0.06)	4.5748	5.75 (0.09)
N-Octyl pyrrolidone	92049	917.57 (0.07)	940.39 (0.71)	3.3349	3.65 (0.09)

^aThe data from literature is compiled from various sources^44–49. The values in the brackets depict the standard error in the value. Density values are in kg/m³.