Properties Estimation
ChemNeuro
(Japanese only)
E-mail
2007.12.11
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)
SOUP Group
contribution method for properties estimation.
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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nor Students, nor developers assumes any legal responsibility
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