Properties Estimation
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2009.8.11
Thermo Chemical Properties Estimations
Web version can
not calculate Aromatic and Halogen compounds.
Our estimation schemes are for carbon number 2-12
(prefer
for Gas & Liquid,
not solid)
Please read this article about logP if you are interested in logP
1. Vapor
Pressure calculate Vapor Pressure
by using Reidel
equation.
2. Vapor
Pressure
calculate Vapor Pressure
3. Critical
Properties calculate Critical
Temperature, Critical Pressure, Critical Volume.
4. Critical
Properties calculate Critical
properties by JOBACK method
5. BP
calculate Boiling Point
6. BP
calculate Boiling Point by JOBACK
method
7. Density
calculate liquid density.
8. Density
calculate liquid density by Yen-Woods.
9. HF,G,S
calculate Heat of Formation, Gibbs energy of Formation, and Entropy of
Formation
10. CP
calculate Heat Capacity of gas
11. SP
calculate Solubility Parameter by SP=(Hv/Vol)^0.5
12. SP
calculate Solubility Parameter from Small
13. SP2
calculate Solubility Parameter from Fedors
Cohesive Energy Density.
14. logKow
Octanol-Water partition coefficient
15. Hv
calculate Heat of Vaporization.
16. Hv
calculate Heat of Vaporization by Pitzer-Carruth-Kobayashi.
17. VIS
calculate Viscosity
18. THC
calculate Thermal conductivity of Liquid
19. HB
calculate Hydrogen Bonding Energy
20. RI
calculate Refractive Index
21. ST2
calculate Macleod-Sugden
method Surface Tension
22. ST
calculate Surface Tension
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