ChemRTP：What is ChemRTP?

Real-Time

Chemical Property

Predictor

 

ChemRTP

 

PRODUCT SUMMARY

 

What is ChemRTP?

 

What is Chemical Real-Time Predictor (ChemRTP)?

Chemical Real-Time Predictor (ChemRTP) quickly predicts chemical data and information

of chemicals of your interest.

Our versatile QSPR-based ChemRTP provides 28 important chemical data for each

chemical in real-time on the web.

Prediction accuracy is also given in cases where experimental data exist.

 

PRODUCT DETAILS

 

Type of Properties Provided

 

Properties

1 Absolute Entropy of Ideal Gas at 298.15K and 1 bar

2 Acentric Factor

3 Critical Compressibility Factor

4 Critical Pressure

5 Critical Temperature

6 Critical Volume

7 Enthalpy of Formation for Ideal Gas at 298.15 K

8 Liquid Molar Volume at 298.15 K

9 Molecular Weight

10 Net Standard State Enthalpy of Combustion at 298.15 K

11 Normal Boiling Point

12 Melting Point

13 Refractive Index

14 Solubility Parameter at 298.15 K

15 Standard State Absolute Entropy at 298.15 K and 1 bar

16 Standard State Enthalpy of Formation at 298.15 K and 1 bar

17 Magnetic Susceptibility

18 Polarizability

19 Flash Point

20 Parachor

21 Lower Flammability Limit Temperature

22 Lower Flammability Limit Volume Percent

23 Upper Flammability Limit Temperature

24 Upper Flammability Limit Volume Percent

25 Liquid Density at Normal Boiling Point

26 Heat of Vaporization at 298.15 K

27 Heat of Vaporization at Normal Boiling Point

28 Water Solubility

 

DATA CATEGORIES

 

ChemRTP Information

Thermo-Physico-Chemical Properties

• Reaction Engineering

• Chemical Process Design / Simulation /

Optimization

• Energy Efficiency Improvement for Combustion

Processes

• Chemical Safety and Regulation

Drug-Related Properties

• New Drug Discovery

• Drug Possibility Provision

 

ChemRTP Applications

• Energy Efficiency Improvement

• Alternative Energy Research

• Environmental Protection

• Process Design, Simulation & Optimization

• Reaction Engineering & Kinetics

• Chemical Process Unit Design & Optimization

• New Drugs Development & Health Researches

• Cosmetics, Flavors & Fragrance Design

• Semiconductor Researches

 

PRODUCT FEATURES

 

New Predictor Program

 

Real-time Chemical Property Prediction.

Able to obtain the property information of chemicals on the real time basis.

 

Property Values Based on Advanced QSPR.

Able to calculate the property of chemicals including H, C, N, O, S, F, CI, Br, I, P, Si, As

based on QSPR Model.

 

Simple One-Click Tool.

Able to determine a significant number of property data upon entering the chemicals

on the website.

 

ACCURATE PREDICTION

 

Quality Data Accuracy

 

Years of accuracy verification using millions of experimental data points.

 

• The experimental data were collected from a broad variety of sources including high impact journals,

scientific textbooks, internet, as well as commercial data bases.

 

• The collected experimental data were inspected and refined to remove the noise and unacceptable

errors.

 

• Refined experimental data were used to verify the accuracy of the estimated values. Thousands of

charts were generated and inspected manually on a daily basis.

 

• A systematic process has now been developed based on chemical analysis theories, e.g., similarity

analysis, and was then applied for the accuracy verification

 

 

CITATION LIST

 

Cited in Authoritative Journals such as Nature. 

 

 

PUBLISHER  PUBLICATION

 

NATURE

Fractal Based Analysis of the Inflence of Odorants on Heart Activity. Hamidreza Namazi, Vladimir V.

Kulish. Scientifi Reports 6, Article number: 38555, DOI:10.1038/srep38555 (2016)

NATURE

The Analysis of the Inflence of Odorant’s Complexity on Fractal Dynamics of Human Respiration.

Hamidreza Namazi, Amin Akrami,Vladimir V. Kulish. Scientifi Reports 6, Article number: 26948,

DOI:10.1038/srep26948 (2016)

MDPI

Free Accessible Databases as a Source of Information about Food Components and Other Com-

pounds with Anticancer Activity–Brief Review. Piotr Minkiewicz, Marta Tur?o, Anna Iwaniak and

Ma?gorzata Darewicz. Molecules 2019, 24(4), 789, DOI: 10.3390/molecules24040789 (2019)

American Chemi-cal Society (ACS)

Calculation of Average Molecular Parameters, Functional Groups, and a Surrogate Molecule for

Heavy Fuel Oils Using 1H and 13C Nuclear Magnetic Resonance Spectroscopy. Abdul Gani Abdul

Jameel, Ayman M. Elbaz, Abdul-Hamid Emwas, William L. Roberts, S. Mani Sarathy. Energy Fuels,

2016, 30 (5), pp 3894–3905, DOI: 10.1021/acs.energyfuels.6b00303 (2016)

American Chemi-cal Society (ACS)

Comparative Study of the Ignition of 1-Decene, trans-5-Decene, and n-Decane: Constant-Volume

Spray and Shock-Tube Experiments. Aniket Tekawade, Tianbo Xie, Matthew A. Oehlschlaeger. En-

ergy Fuels, 2017, 31 (6), pp 6493–6500, DOI: 10.1021/acs.energyfuels.7b00430 (2017)

Springer

The CompTox Chemistry Dashboard: a community data resource for environmental chemistry.

Antony J. Williams, Christopher M. Grulke, Jeff Edwards, Andrew D. McEachran, Kamel Mansouri,

Nancy C. Baker, Grace Patlewicz, Imran Shah, John F. Wambaugh, Richard S. Judson, Ann M. Richard.

J Cheminform (2017) 9:61, DOI: 10.1186/s13321-017-0247-6 (2017)

Hindawi

Analysis of the Influence of Complexity and Entropy of Odorant on Fractal Dynamics and Entropy

of EEG Signal. Hamidreza Namazi, Amin Akrami, Sina Nazeri, Vladimir V. Kulish. BioMed Research

International Volume 2016 Article ID 5469587, 5 pages doi:10.1155/2016/5469587 (2016)

Residue2Heat

THERMO-PHYSICAL CHARACTERIZATION OF FPBO AND PRELIMINARY SURROGATE DEFINITION.

Project title: Renewable residential heating with fast pyrolysis bio-oil. A. Frassoldati, A Cuoci, A.

Stagni, T. Faravelli, R. Calabria, P. Massoli. Grant Agreement: 654650. Start of the project: 01.01.2016

(48 months)

 

USAGE GUIDE

 

How To Use ChemRTP

 

 

Go to www.chemrtp.com.

Enter your compound

using chemical name or 2D structure.

View various property information

 

 

Our core technologies are the results of fusing fundamentalchemical science and information technologies

 

ChemEssen Inc. 1408 AceHighTechCity 2-Cha, 25 Seonyu-ro 13-gil, Yeongdeungpo-gu, Seoul, 07282 Republic of Korea

Tel: +82. 2. 3143. 5933 l  Fax: +82. 2. 3143. 5920 l  email: staff@chemessen.com