Atmospheric Chemical Reaction Rates - Free Download
Reaction rate data for 1,683 organic compounds in gas-phase atmospheric reactions, with compound name, molecular weight, formula, and reaction constants. Contains 1683 records. Download in Excel, CSV, PDF formats.
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- Contains 1683 records / 39 fields
- Available for free download in Excel, CSV, and PDF formats
- Data sourced from: https://github.com/vincentarelbundock/Rdatasets
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| Cmpd Name | Cmpd Mwt | Cmpd Formula | Cmpd Type | Cmpd Smiles | Cmpd Inchi | Cmpd Inchikey | OH K298 | OH Uncert | OH U Fac | OH A | OH B | OH N | OH T Low | OH T High | O3 K298 | O3 Uncert | O3 U Fac | O3 A | O3 B | O3 N | O3 T Low | O3 T High | NO3 K298 | NO3 Uncert | NO3 U Fac | NO3 A | NO3 B | NO3 N | NO3 T Low | NO3 T High | Cl K298 | Cl Uncert | Cl U Fac | Cl A | Cl B | Cl N | Cl T Low | Cl T High |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| methane | 16.04 | CH4 | normal alkane | C | InChI=1S/CH4/h1H4 | VNWKTOKETHGBQD-UHFFFAOYSA-N | 6.36e-15 | 0.1 | 3.62e-13 | 1200.34866000493 | 2.17993581535803 | 200 | 2025 | 1e-13 | 0.15 | 6.6e-12 | 1240 | 200 | 300 | |||||||||||||||||||
| formaldehyde | 30.03 | CH2O | aldehyde | C=O | InChI=1S/CH2O/c1-2/h1H2 | WSFSSNUMVMOOMR-UHFFFAOYSA-N | 8.5e-12 | 0.2 | 5.4e-12 | -135 | 200 | 300 | 5.5e-16 | 1.6 | 7.2e-11 | 0.15 | 8.1e-11 | 34 | 200 | 500 | ||||||||||||||||||
| methanol | 32.04 | CH4O | alcohol or glycol | CO | InChI=1S/CH4O/c1-2/h2H,1H3 | OKKJLVBELUTLKV-UHFFFAOYSA-N | 8.78e-13 | 0.1 | 2.32e-13 | -402 | 2.72 | 210 | 1344 | 1.3e-16 | 3 | 9.4e-13 | 2650 | 250 | 370 | 5.1e-11 | 0.2 | 5.1e-11 | 0 | 225 | 950 | |||||||||||||
| fluoromethane | 34.03 | CH3F | haloalkane (separated) | CF | InChI=1S/CH3F/c1-2/h1H3 | NBVXSUQYWXRMNV-UHFFFAOYSA-N | 1.97e-14 | 0.1 | 1.99e-13 | 685.420420882062 | 2.04018150946468 | 240 | 1800 | 3.6e-13 | 1.4 | 4.9e-12 | 781 | 200 | 300 | |||||||||||||||||||
| formic acid | 46.03 | CH2O2 | carboxylic acid | OC=O | InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3) | BDAGIHXWWSANSR-UHFFFAOYSA-N | 4.5e-13 | 1.4 | 4.5e-13 | 290 | 450 | 1.9e-13 | 1.4 | |||||||||||||||||||||||||
| formyl fluoride | 48.02 | CHOF | saturated halogen-containing oxygenate (halogens separated) | FC=O | InChI=1S/CHFO/c2-1-3/h1H | NHGVZTMBVDFPHJ-UHFFFAOYSA-N | 1.9e-15 | 0.11 | ||||||||||||||||||||||||||||||
| methyl hydroperoxide | 48.04 | CH4O2 | hydroperoxide | COO | InChI=1S/CH4O2/c1-3-2/h2H,1H3 | MEUKEBNAABNAEX-UHFFFAOYSA-N | 1e-11 | 2 | 5.3e-12 | -190 | 220 | 430 | 5.9e-11 | 3 | ||||||||||||||||||||||||
| chloromethane | 50.49 | CH3Cl | haloalkane (separated) | CCl | InChI=1S/CH3Cl/c1-2/h1H3 | NEHMKBQYUWJMIP-UHFFFAOYSA-N | 3.6e-14 | 0.2 | 2.1e-12 | 1210 | 220 | 330 | 4.89e-13 | 0.1 | 4.32e-12 | 646.4 | 1.3057 | 222 | 843 | |||||||||||||||||||
| difluoromethane | 52.02 | CH2F2 | haloalkane (multiple) | FCF | InChI=1S/CH2F2/c2-1-3/h1H2 | RWRIWBAIICGTTQ-UHFFFAOYSA-N | 1.05e-14 | 0.1 | 2.21e-13 | 904.359277590058 | 1.86009090193626 | 220 | 1800 | 3.3e-14 | 0.15 | 6.93e-12 | 1591 | 250 | 300 | |||||||||||||||||||
| nitromethane | 61.04 | CH3NO2 | nitro organic | [O-][N+](=O)C | InChI=1S/CH3NO2/c1-2(3)4/h1H3 | LYGJENNIWJXYER-UHFFFAOYSA-N | 1.4e-14 | 0.21 | 5.8e-13 | 1102 | 298 | 671 | ||||||||||||||||||||||||||
| methyl nitrite | 61.04 | CH3NO2 | nitrite | CON=O | InChI=1S/CH3NO2/c1-4-2-3/h1H3 | BLLFVUPNHCTMSV-UHFFFAOYSA-N | 2.7e-13 | 0.33 | 1e-10 | 1764 | 298 | 393 | 2.1e-12 | 0.14 | ||||||||||||||||||||||||
| formyl chloride | 64.47 | CHOCl | saturated halogen-containing oxygenate (halogens separated) | ClC=O | InChI=1S/CHClO/c2-1-3/h1H | GFAUNYMRSKVDJL-UHFFFAOYSA-N | 7.5e-13 | 0.26 | 1.12e-11 | 805 | 220 | 330 | ||||||||||||||||||||||||||
| chloro(fluoro)methane | 68.48 | CH2FCl | haloalkane (multiple) | FCCl | InChI=1S/CH2ClF/c2-1-3/h1H2 | XWCDCDSDNJVCLO-UHFFFAOYSA-N | 3.9e-14 | 0.15 | 1.6e-12 | 1105 | 240 | 300 | 1.1e-13 | 2 | 6.8e-12 | 1230 | 270 | 370 | ||||||||||||||||||||
| trifluoromethane | 70.01 | CHF3 | haloalkane (multiple) | FC(F)F | InChI=1S/CHF3/c2-1(3)4/h1H | XPDWGBQVDMORPB-UHFFFAOYSA-N | 2.98e-16 | 0.1 | 7.62e-14 | 1648.66677577402 | 1.85025752070787 | 250 | 1800 | |||||||||||||||||||||||||
| methyl nitrate | 77.04 | CH3NO3 | nitrate | [O-][N+](=O)OC | InChI=1S/CH3NO3/c1-5-2(3)4/h1H3 | LRMHVVPPGGOAJQ-UHFFFAOYSA-N | 2.3e-14 | 2 | 4e-13 | 845 | 220 | 300 | 2.4e-13 | 1.4 | ||||||||||||||||||||||||
| dichloromethane | 84.93 | CH2Cl2 | haloalkane (multiple) | ClCCl | InChI=1S/CH2Cl2/c2-1-3/h1H2 | YMWUJEATGCHHMB-UHFFFAOYSA-N | 1e-13 | 0.25 | 1.8e-12 | 860 | 210 | 400 | 3.4e-13 | 0.26 | 5.9e-12 | 850 | 220 | 300 | ||||||||||||||||||||
| trifluoromethanol | 86.01 | CHOF3 | saturated halogen-containing oxygenate (multiple halogens) | OC(F)(F)F | InChI=1S/CHF3O/c2-1(3,4)5/h5H | WZCZNEGTXVXAAS-UHFFFAOYSA-N | 2e-17 | |||||||||||||||||||||||||||||||
| chloro(difluoro)methane | 86.47 | CHF2Cl | haloalkane (multiple) | FC(Cl)F | InChI=1S/CHClF2/c2-1(3)4/h1H | VOPWNXZWBYDODV-UHFFFAOYSA-N | 4.7e-15 | 0.15 | 7.9e-13 | 1530 | 240 | 300 | 1.7e-15 | 1.4 | 4.2e-12 | 2345 | 290 | 430 | ||||||||||||||||||||
| tetrafluoromethane | 88 | CF4 | haloalkane (multiple) | FC(F)(F)F | InChI=1S/CF4/c2-1(3,4)5 | TXEYQDLBPFQVAA-UHFFFAOYSA-N | 4e-16 | |||||||||||||||||||||||||||||||
| bromomethane | 94.94 | CH3Br | haloalkane (separated) | CBr | InChI=1S/CH3Br/c1-2/h1H3 | GZUXJHMPEANEGY-UHFFFAOYSA-N | 2.9e-14 | 0.15 | 1.7e-12 | 1215 | 240 | 300 | 4.45e-13 | 0.1 | 1.46e-11 | 1040 | 210 | 700 |