Jean-Claude Bradley, our collaborator at Drexel University, recently posted on “There are no facts…in science – only measurement embedded within assumptions.” He refers to information on ChemSpider a number of times to make his arguments and I point you to his original post to read.

Some specific sections are quoted “There are properties that have been determined so many times by different researchers and different techniques that we can treat a narrow range of values by consensus as if they were absolute facts. An example would be considering the boiling point of methanol at 1 atm to be 65C within one degree of accuracy. For most purposes that will suffice, as long as we understand the source of our confidence.”

When we deposit property information onto ChemSpider we make attributions with the outlinks. So, if you look at this record for ethyl acetate you will see a lot of property informtion listed as shown below. Unfortunately the “units” are not always directly available when we gather the data and we need to add the ability to add/edit units soon. However, there IS generally information in the record for at least one of the entries defining the units and the outlinks (shown by the blue arrows) will take the user to the original data source anyway.

  • experimental physchem properties
    • Melting Point: -84

    • Melting Point: -84

    • Melting Point: -84

    • Melting Point: -84

    • Melting Point: -84

    • Melting Point: -84 C

    • Boiling Point: 76-77

    • Boiling Point: 77

    • Boiling Point: 77

    • Boiling Point: 77

    • Boiling Point: 77

    • Boiling Point: 171F

    • Boiling Point: 77º

    • Boiling Point: 77 C

    • Flash Point: -3(26F)

    • Flash Point: -3(26F)

    • Flash Point: -3(26F)

    • Flash Point: -3(26F)

    • Flash Point: -3(26F)

    • Flash Point: 24F

    • Flash Point: -4 C

    • Freezing Point: -117F

    • Specific Gravity: 0.902

    • Specific Gravity: 0.902

    • Specific Gravity: 0.902

    • Specific Gravity: 0.902

    • Specific Gravity: 0.902

    • Specific Gravity: 0.90

    • Specific Gravity: 0.894 – 0.898

    • Refraction Index: 1.3720

    • Refraction Index: 1.3720

    • Refraction Index: 1.3720

    • Refraction Index: 1.3720

    • Refraction Index: 1.3720

    • Refraction Index: 1.371 – 1.376

    • Ionization Potential: 10.01 eV

    • Vapor Pressure: 73 mmHg

  • miscellaneous
    • Appearance: Colorless liquid with an ether-like, fruity odor.

    • Appearance: colourless liquid with fruit-like odour

    • Appearance: Colourless liquid, volatile at low temperatures with a fragrant, acetic, ethereal odour

    • Applications: Pesticide residue, environmental, and GC analysis

    • Stability: Stable. Incompatible with various plastics, strong oxidizing agents. Highly flammable. Vapour/air mixtures explosive. May be moisture sensitive.

    • Toxicity: ORL-RAT LD50 5620 mg kg-1, SKN-RBT LD50 > 20 ml kg-1, SCU-GPG LD50 3000 mg kg-1, IPR-MUS LD50 709 mg kg-1

    • Safety: FLAMMABLE / IRRITANT

    • Safety: DANGER: FLAMMABLE, irritates skin, eyes, lungs

    • Safety: DANGER: FLAMMABLE, causes CNS injury, lung & eye irritation

    • Safety: DANGER: FLAMMABLE, causes CNS injury, lung & eye irritation

    • Safety: DANGER: FLAMMABLE, causes CNS injury, lung & eye irritation

    • Safety: Safety glasses, adequate ventilation.

    • First Aid: Eye: Irrigate immediately Skin: Water flush promptly Breathing: Respiratory support Swallow: Medical attention immediately

    • Exposure Routes: inhalation, ingestion, skin and/or eye contact

    • Symptoms: Irritation eyes, skin, nose, throat; narcosis; dermatitis

    • Target Organs: Eyes, skin, respiratory system

    • Incompatibilities and Reactivities: Nitrates; strong oxidizers, alkalis & acids

    • Personal protection and Sanitation: Skin: Prevent skin contact Eyes: Prevent eye contact Wash skin: When
      contaminated Remove: When wet (flammable) Change: No recommendation

Jean-Claude goes on to discuss his project regarding the measurement of non-aqueous solubility and the differences between experimental and predicted properties. His discussions highlight the advantages of Open Notebook Science in terms of access to information regarding how measurements are performed…information that is missing otherwise. We advocate access to this type of information and will be linking to JC’s non-aqueous solubility measuresment on his wiki shortly. FYI, his entire presentation is online here.

Stumble it!

One Response to “There are no facts in science – only measurement embedded within assumptions.”

  1. Jean-Claude Bradley says:

    The way ChemSpider aggregates different properties with links to the sources was ideal for the point I wanted to make about the boiling point of methanol for example. I wish chemical properties on Wikipedia had links to sources consistently.

Leave a Reply

Spam protection by WP Captcha-Free