If you are using proper browser, you can calculate properties with JOBACK method. This program calculate, boiling point, Critical temperature. Property Estimation Joback Method spreadsheet calculates thermophysical and transport properties as a function of the sum of group parameters. Some of the. The Joback method is a group contribution method. These kind of methods use basic structural information of a chemical molecule like a list of simple functional .

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The big advantage of using only simple group parameters is the small number of needed parameters. Other contributions can come from magnetic and electronic degrees of freedom in solids, for quantum mechanical reasons, at any given temperature, some of these degrees of freedom may be unavailable, or only partially available, to store thermal energy. Otherwise, all fluids have methov viscosity, and are said to be viscous or viscid.

The heat capacity polynomial uses four parameters and the viscosity equation only 2.

A group contribution method is used to predict properties of pure components and this reduces the number metohd needed data dramatically. This doesn’t describe the real behavior of the normal boiling points correctly.

Some of the most basic properties needing to be estimated for pure chemicals are the molecular weight, the melting point and the normal boiling point. The formula used for the prediction of the normal boiling point shows another problem. Views Read Edit View history. The chosen formula of the Joback method leads to high deviations for large and small jobcak and an acceptable good estimation only for mid-sized components.

Newer developments of estimation methods [3] [4] have shown that the quality of the Joback method is limited. The longest series of linked carbon atoms in methdo molecule is known as its skeleton or carbon backbone. The data base Joback and Reid used for obtaining the group parameters was rather small and covered only a limited number of different molecules. For a given velocity pattern, the stress required is proportional to the fluids viscosity, a fluid that has no resistance to shear stress is known as an ideal or inviscid fluid.

See this report for a more detailed evaluation of the technique. The Joback method additionally uses a very simple and easy to assign group scheme, which jogack the method usable also for people with only basic chemical knowledge. By using this site, you agree to the Terms of Use and Privacy Policy.


For example, the molecular structure of 1-butanol is shown in Figure 1. Group contribution method — A group contribution method in chemistry is a technique to estimate and predict metbod and other properties from molecular structures.

Principle of a Group Contribution Method. It can be defined through the situation koback as a Couette flow. The reactivity of a methyl group depends on the adjacent substituents, methyl groups can be quite unreactive. The authors state that the parameters are valid from the melting temperature up to 0. Because the carbonyl group interacts with water by bonding, ketones are typically more soluble in water than the related methylene compounds 8.

If an experimental value is available it is recommended to use jobacl boiling point.

Its main usage is the supply for process simulation where experimental data are the basis for the design, analysis, synthesis.

However one may use it over any domain where addition and multiplication are defined, in particular, when a is the indeterminate x, then the image of x by this function is the polynomial P itself. The normal boiling point is estimated by Joback’s method [1], a group contribution technique.

How to use Joback Properties estimation method, HTML5 program

For simplicity and clarity, the notion of critical point is best introduced by discussing a specific example. Critical temperature estimates have an average absolute percent error of 2. These parameters are valid from K to approx. Each layer of fluid will move faster than the one just below it, in particular, the fluid will apply on the top plate a force in the direction opposite to its motion, and an equal but opposite one to the bottom plate.

The liquid—liquid critical point of a solution, which occurs at the solution temperature.

Property Estimation Joback Method

When information is transferred across time, often to specific points in time, forecasting usually requires time series methods, while prediction is often performed on cross-sectional data. A typical group contribution ,ethod using group interaction values is the UNIFAC method which estimates activity coefficients, a big disadvantage of the group interaction model is the need for many more model parameters 9. An oil refinery at Martinez, California. In todays chemical processes hundreds of thousands of components are used, the Chemical Abstracts Service registry lists 56 million substances, but many of these are only of scientific interest.


In this prototypical example involving benzophenone, the tetrahedral intermediate expels phenyl anion to give benzamide and benzene as the organic products. Two of the estimated properties are temperature-dependent: Once you have entered your structure’s groups, press jonack “Estimate Properties” button below and scroll the window to examine estimated property values.

Joback method

Polynomial — In mathematics, a polynomial is an expression consisting of variables and coefficients, that involves only the operations of addition, subtraction, multiplication, and non-negative integer exponents. The vapor pressure is estimated at several temperatures between the normal boiling point and the critical temperature by the Lee-Kesler equation [4].

The existence of a point was first discovered by Charles Cagniard de la Tour in and named by Dmitri Mendeleev in Use the controls below to show the group dissections of several other common chemicals: The best coverage has been achieved for normal boiling points components and the worst for heat of fusion components. This doesn’t describe the real behavior of the normal boiling points correctly. It is thus correct to call it an indeterminate. The liquid—liquid joack point of a solution, which occurs at the solution temperature 4.

A prediction of this kind might be valid if the predictor is a knowledgeable person in the field and is employing sound reasoning. As the temperature approaches zero, the heat capacity of a system approaches zero. Volume 15, number 4, page – The smallest common constituents are the atoms and the bonds, the vast majority of organic components, for example, are built of carbon, hydrogen, oxygen, nitrogen, halogens, and maybe sulfur or phosphorus.

The melting point is estimated by Joback’s method [1], a group contribution technique. Mthod is, on the other hand, also possible to input the normal boiling point estimated by the Joback method.

In addition to the alkane isomers, the chain methood atoms may form one or more loops.