User guide

Critical pressure
Reported in bars, this is the least applied pressure required at the critical temperature to liquefy a gas.
Critical temperature
Reported in Kelvin, this is the temperature above which a gas cannot be liquefied, regardless of the pressure applied.
Critical volume
Reported in cm
3
/mol, this is the volume occupied by one mole of a substance at the critical temperature and pres-
sure.
CLogP/CMR
Use CLogP to calculate n-octanol/water partition coefficient (log P
ow
). LogP values based on literature rather than cal-
culations are included in the report file.
Use CMR to calculate Molar Refractivity. MR values based on literature rather than calculations are included in the
report file.
Note: CLogP and CMR values appear only in ChemBioDraw Ultra and ChemDraw Ultra.
Gibbs free energy
Gibbs free energy is defined as:
which is same as:
Where:
U is the internal energy (SI unit: Joule)
p is pressure (SI unit: Pascal)
V is volume (SI unit: m
3
)
T is the temperature (SI unit: Kelvin)
S is the entropy (SI unit: joule per Kelvin)
H is the enthalpy (SI unit: Joule)
Note: H and S are thermodynamic values found at standard temperature and pressure.
ChemBioDraw 13.0
Chapter 9: Chemistry features 138 of 401