Thermo Chemical Properties Estimations top page

Chemistry@Pirika: Thermo Chemical Properties Estimations

Limitation:

From 1999-, I made JAVA programs and open them at this site. But JAVA program can easily reverse engineering and one can get source code of program. If I want to protect source code, the best answer is not put on web. So my policy for this issue is "Put only 3 generation previous version".

I made properies estimation schemes with neual network method. It is impossible to change parameters nor improving scheme without source database set. So it is rather safe.

JAVA&HTML5

If you want to run the JAVA program, you need install JRE(Java Runtime Enviroment) on your computer. JRE analyze JAVA byte code and work on browser. Almost all browsers support JAVA but from security reason, some company restrict running JAVA program. Android OS support JAVA but i never checked if my program working.(Please feed back me.) Apple iOS did not support JAVA.

HTML5 is new standard to show the home page. I can make program with JavaScript. Chrome, FireFox, Safari browser support HTML5. Internet Explorer (IE) version 9 begin to support HTML5, but implementation is still poor. And IE9 is supported only Windows7 and vista. IE below 9 are not support HTML5. So XP user need to install other browser. I am the Mac user, so all IE are out of support. Apple iOS support HTML5 so my program will run on iPad.

Properties that handled at Pirika

Newest version is implemented into HSPiP ver.4(Y-Predict). If the corporate visitor want to use full version, please buy HSPiP. The Abstract of HSPiP (2013.1.18)
How to buy HSPiP

logP, logKow:

Pirika neural network method (JAVA version 2004.11.14)
logP calculation (HTML5 version, Test program for YMB, 2011.5.16)
YMB simulator (HTML5 version 2011.6.10, need pass code to use full function）

Boiling Point:

Pirika neural network method (JAVA version 2004.11.14)
Joback method (JAVA version 2004.11.14)
Joback method（HTML5 version 2011.4.16, with Other Properties）
PirikaLight（JAVA version 2009.9.15, with Other Properties）
Temperature-Vapor Pressure relationship (HTML5 version 2011.6.13）
YMB simulator (HTML5 version 2011.6.10, need pass code to use full function）

BP at Reduced pressure (JAVA version 2004.11.14)

Critical Properties:

Critical Temperature
Critical Pressure
Critical Volume

Vapor Pressure

Pirika neural network method (JAVA version 2004.11.14)
Riedel method (JAVA version 2004.11.14)
PirikaLight（JAVA version 2009.9.15, Antine parameters estimation）
Temperature-Vapor Pressure relationship (HTML5 version 2011.6.13）
YMB simulator (HTML5 version 2011.6.10, need pass code to use full function)

The relationship of temperature-Vapor Pressure

Temperature-Vapor Pressure relationship (HTML5 version 2011.6.13）
YMB simulator (HTML5 version 2011.6.10, need pass code to use full function)

Density, Volume, Surface

Pirika neural network method (JAVA version, NN method, 2004.11.14)
Yen-Woods method (JAVA version, CST method 2004.11.14)
Volume (JAVA version, group additivity method, 2001.01.14)
Volume-Surface (JAVA version, NN method, 2001.01.14)
Volume-Surface (HTML5 version, Test program for YMB, 2011.5.16)
YMB simulator (HTML5 version 2011.6.10, need pass code to use full function）

Heat of Vaporization

Pirika Neural Network method (JAVA version 2004.11.14)
Pitzer-Carruth-Kobayashi method(JAVA version 2004.11.14)
Joback method （HTML5 version 2011.4.16, with Other Properties）
YMB simulator（(HTML5 version, 2011.6.10, need pass code to use full function）

Solubility Parameter:

Pirika neural network method (JAVA version 2004.11.14)
Small, Van Krevelen method(JAVA version 2004.11.14)
Fedors method (JAVA version 2004.11.14)
PirikaLight（JAVA version 2009.9.15, with Other Properties）
YMB simulator (HTML5 version 2011.6.10, need pass code to use full function）

Hansen Solubility Parameters (HSP)

Viscosity

YMB simulator (HTML5 version 2011.6.10, need pass code to use full function)

Thermal Conductivity:

Pirika neural network method (JAVA version 2004.11.14)
YMB simulator (HTML5 version 2011.6.10, need pass code to use full function)

Surface Tension: For understanding of Surface Tension

pirika neural network method(JAVA version 2004.11.14)
Macleod - Sugden method (JAVA version 2004.11.14)
YMB simulator (HTML5 version 2011.6.10, need pass code to use full function)

Refractive Index Refractive Index part2

Pirika neural network method(JAVA version 2004.11.14)
YMB simulator (HTML5 version 2011.6.10, need pass code to use full function)

Heat capacity:

Pirika neural network method (JAVA version 2004.11.14, for Gas)
YMB simulator (HTML5 version 2011.6.10, for liquid, need pass code to use full function)

Hydrogen Bonding Energy:

Pirika neural network method (JAVA version 2004.11.14)
HB calculation (HTML5 version, Test program for YMB, 2011.5.16)

Heat of Formation:

Pirika neural network method (JAVA version, Include Gibbs energy and Entropy for formation. 2004.11.14)
Joback method（HTML5 version 2011.4.16, with Other Properties）
YMB simulator (HTML5 version, only MOPAC base heat of formation. 2011.6.10, need pass code to use full function）

Flash Point

Pirika neural network method (JAVA version 2001.1.14)

Solubility to water:

YMB simulator (HTML5 version 2011.6.10, need pass code to use full function)

Henry Constant

YMB simulator (HTML5 version 2011.6.10, need pass code to use full function)

Melting Point, Heat of Fusion:

Joback method（HTML5 version 2011.4.16, with Other Properties）
PirikaLight（JAVA version 2009.9.15, with Other Properties）

Dipole Moment

YMB31D

iPad version

iPhone/iPod Touch version

2011.12.2

I got the mail from who is working in Chemical Engineering area. He want to buy Pirika Properties Estimation program. Now I am not doing software business except developing HSPiP (Hansen Solubility Parameters in Practice). This program include Y-MB function that calculate many properties that devevoped by me.

If you enter Smiles structure, program answer these properties.

dD dP dH dHD/A: Hansen Solubility Parameters
MVol: Molecular volume
SMILES: Smiles structure
Formula:
MWt: Molecular Weight
Density
MPt: Melting Point
BP: Boiling Point
RI: Refractive Index
VP@25°C: Vapor Pressure at 25C
RER: Relative Evaporation Ratio
ExpA ExpB: Coefficients of thermal expansion
LogOHR: Reactivity with OH Radical
MIR: Carter MIR
LogKow: Octanol/water partition coefficient (logP)
LogS: log Solubility to water g/100g
LogKsoil: partition coefficient to Soil
AA AB AC: Antoine parameters
Tc Pc Vc: Critical properties
Visc@25°C: viscosity at 25C

If your interest properties included, please buy HSPiP.