Chemical Property Explorer
Back to ToolsMethane
- Formula CH4
- Molecular Weight 16.04 g/mol
- CAS Number 74-82-8
- PubChem CID 297
- IUPAC Name methane
-
SMILES String
C - Common Synonyms methane, Marsh gas, Methyl hydride, Fire Damp, Biogas
- Critical Temperature (Tc) 190.56 K
- Critical Pressure (Pc) 4599200 Pa
- Critical Volume (Vc) 0.000099 m³/mol
- Acentric Factor (ω) 0.0114
- Boiling Point 111.67 K
- Melting Point 90.75 K
- Density (STP) 0.66 kg/m³
- LogP (Octanol/Water) 0.6
- Heat Capacity (STP) 2225.87 J/(kg·K)
Vapor Pressure Curve
About this Tool
Welcome to the Chemical Property Explorer. This tool functions as a rapid, professional-grade thermodynamic and physical property research engine, streamlining data retrieval for chemical engineers.
⚙️ How It Works
The Chemical Property Explorer replaces manual textbook and chart lookups by aggregating data from industry-standard scientific databases and the live PubChem API. Once you search for a chemical, the tool’s backend engine simultaneously retrieves molecular identifiers, structural data, and rigorous thermodynamic properties, presenting them in a clean, instantly exportable format.
1. Search Inputs Explained
To begin your research, simply use the intelligent search bar. The tool supports multiple identifier types:
- Chemical Name: Type standard or common chemical names (e.g., "Methane", "Water"). The search bar features a live autocomplete engine that pings the PubChem database to suggest standardized names and catch typos instantly.
- CAS Number: Enter the unique Chemical Abstracts Service registry number (e.g., "74-82-8" for Methane) for absolute precision.
- PubChem CID: Directly input the official PubChem Compound Identification number if known.
2. Core Data Engines (Advanced)
This tool leverages three distinct data engines to provide a comprehensive profile of the target molecule:
Chemical Librarian (PubChem)
Fetches descriptive metadata directly from the NIH's PubChem database. It retrieves the standardized IUPAC name, common synonyms, the SMILES string for simulation software, and automatically renders a 2D structural image of the molecule.
Thermodynamic Solver
Utilizes highly accurate computational engines to calculate advanced thermodynamic states at Standard Temperature and Pressure (STP), ensuring properties like density and heat capacity meet rigorous engineering standards.
Dynamic Graphing Engine
Automatically calculates the fluid's vapor pressure across a range of temperatures (from its melting point to near its critical point) to generate an interactive, highly accurate vapor pressure curve.
3. Results & Output Variables Explained
The retrieved data is categorized into structured panels for immediate engineering application:
- Molecular Formula & Weight: The elemental composition and the mass of one mole of the substance.
- SMILES String: A line notation describing the chemical structure, essential for pasting into process simulation software like Aspen or DWSIM.
- IUPAC Name: The internationally recognized, standardized chemical nomenclature.
- Critical Temperature (Tc) & Pressure (Pc): The thermodynamic state beyond which distinct liquid and gas phases do not exist (the supercritical fluid region).
- Critical Volume (Vc): The volume occupied by one mole of the substance at its critical temperature and pressure.
- Acentric Factor (ω): A conceptual number representing the non-sphericity of the molecule's force field, crucial for advanced equations of state (like Peng-Robinson or SRK).
- Boiling & Melting Points: Phase transition temperatures at standard atmospheric pressure.
- Density & Heat Capacity (at STP): The mass per unit volume and the energy required to raise the fluid's temperature by one degree, evaluated at standard conditions.
- LogP (Octanol/Water): The partition coefficient indicating the molecule's hydrophilicity or lipophilicity.