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. Author manuscript; available in PMC: 2022 Nov 15.
Published in final edited form as: J Chem Theory Comput. 2021 Oct 26;17(11):7056–7084. doi: 10.1021/acs.jctc.1c00628

Table 4.

Water properties at room temperature (298 K and 1 atm).

Property HIPPO Experimental Abs. Deviation
Density (kg/m3) 996.492 997.045a 0.553 (0.06%)
Enthalpy of Vaporization (kJ/mol) 43.806 43.989b 0.183 (0.42%)
Static Dielectric Constant 76.878 78.409c 1.531 (1.95%)
Self-Diffusion Coefficient (10−5 cm2/s) 2.557 2.299d 0.258 (11.22%)
Surface Tension (mJ/m2) 74.918 71.99e 2.928 (4.07%)
Second Virial Coefficient (L/mol) −1.2612 −1.158f 0.103 (8.91%)
a

Reference 75.

b

Reference 76.

c

Reference 77.

d

Reference 78.

e

Reference 79.

f

Reference 80.