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IK-Cape File

Physical Property Datafile For Process Simulators, e.g., Aspen Plus

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Delivering 2,100+ Information Sets per Compound.

  • Physical property datafile (IKC file) on this page is sourced from CC-DPS (Chemical Compounds Deep Profiling Services), which provides more than 2,100 additional essential information sets for each chemical compound.

  • At CC-DPS, we provide IKC files free of charge for compounds containing up to 5 non-hydrogen atoms.

Missing Component in Your Simulator?

It's a common challenge. Most process simulators, like Aspen Plus, have built-in databases limited to fewer than 40,000 pure components. Yet, the chemical industries and laboratories work with over 100 million components.

Overcome this limitation by importing physical property datafiles (IK-Cape files – IKC files) into your simulator, readily available through our Chemical Compounds Deep Profiling Services (CC-DPS).

Try Sample IKC Files.

Simply download the IK-Cape (IKC) file from our website and import it to your simulator. Your simulation will be ready to run in minutes.

Sample IKC files are ready for your test run. To download, simply do the followings (View Video Guide):
  1. (1)

    Go to our sample compounds page .

  2. (2)

    Click one of the compound images (or click the "View our data" button).

  3. (3)

    Click the "Download IK-Cape File for Process Simulation" link.

To import the IKC file to your simulator, e.g., Aspen Plus, just do the followings (View Video Guide):
  1. (1)

    Go to File Menu > Import > File (Import a file to the current workspace).

  2. (2)

    Select File Extension: IK-CAPE Files (*.ikc).

  3. (3)

    Go to the folder containing the downloaded IKC file, click, and open the IKC file.
    To confirm the import, check the Property Panel>Methods>Parameters>Pure Components.

To access the IKC file of the component you need, simply subscribe to Mol-Instincts.

What is the IK-Cape (IKC) File?

In simple words, it’s a thermophysical property datafile for process simulation software.

The IK-CAPE PPDX Format defines a neutral and manufacturer spanning file format for the exchange of thermophysical property data and model parameter. PPDX is an acronym for Physical Property Data Exchange. The format should enable one to exchange thermophysical property data, model parameters, and even calculation routes freely and unhampered between various software products in the field of Computer Aided Process Engineering (CAPE). The IK-CAPE PPDX format file can be imported or exported from DETHERM, Aspen Plus, DDB, etc. The IK-CAPE (*.ikc) file is an ASCII text file, so it can be read in a text editor.

What's in the IKC File?

Our IKC file contains the following data:

NO Symbol Meaning
1 MW Molecular Weight
2 OMEGA Acentric Factor
3 ZC Critical Compressibility Factor
4 TC Critical Temperature
5 PC Critical Pressure
6 VC Critical Volume
7 DIPM Dipole Moment
8 HLSM Heat of Melting at Normal Melting Point
9 VOL0 Volume at Standard Conditions
10 TB Normal Boiling Point (1 atm)
11 RGYR Radius of Gyration
12 S0V Standard Entropy (Vapor)
13 S0L Standard Entropy (Liquid)
14 S0S Standard Entropy (Solid)
15 HF0V Standard Heat of Formation (Vapor)
16 HF0L Standard Heat of Formation (Liquid)
17 HF0S Standard Heat of Formation (Solid)
18 GF0V Standard Free Energy of Formation (Vapor)
19 GF0L Standard Free Energy of Formation (Liquid)
20 GF0S Standard Free Energy of Formation (Solid)
21 PARA Parachor
22 HLVB Heat of Vaporization at Normal Boiling Point
23 CPIG Heat Capacity of Ideal Gas
24 CP (V, L) Heat Capacity (Vapor, Liquid)
25 HLV Heat of Vaporization
26 DEN (L) Density (Liquid)
27 SFTN Surface Tension
28 K (V, L) Thermal Conductivity (Vapor, Liquid)
29 PVL Vapor Pressure
30 VIS (V, L) Viscosity (Vapor, Liquid)
31 VIR2 Second Virial Coefficient
32 RINAD Refractive Index, Na-D-Line
33 PTCOW Octanol/Water Partition Coefficient
34 SOLW Solubility within Water
35 HF (V, L) Heat of Formation (Vapor, Liquid)
36 H (V, L) Enthalpy (Vapor, Liquid)
37 S (V, L) Entropy (Vapor, Liquid)
38 G (V, L) Gibbs Energy (Vapor, Liquid)
39 GF (V, L) Gibbs Energy of Formation (Vapor, Liquid)