Table 3
Predictions of BEs for molecules with astrophysical relevance measured in K and rounded to the nearest 10 K.
| Name | Molecule | Surface | Prediction (K) | Prediction (eV) | Estimate (K) |
|---|---|---|---|---|---|
| Cyanamide | NH2CN | Carbon | 8780 ± 3730 | 0.76 ± 0.32 | 5556(a) |
| Cyanamide | NH2CN | Water | 8730±3710 | 0.75 ± 0.32 | |
| Ethanimine | CH3 CHNH | Carbon | 4350±1100 | 0.37 ± 0.09 | 5580(b) |
| Ethanimine | CH3 CHNH | Water | 4010±1620 | 0.35 ± 0.14 | |
| Vinylalcohol | CH2CHOH | Carbon | 6000 ± 260 | 0.52 ± 0.02 | – |
| Vinylalcohol | CH2CHOH | Water | 5910± 400 | 0.51 ± 0.03 | – |
| Propargylimine | HC3HNH | Carbon | 4580± 1210 | 0.40 ± 0.10 | 14750(c) |
| Propargylimine | HC3HNH | Water | 4260 ±1630 | 0.37 ± 0.14 | |
| Cyanomethanimine | HNCHCN | Carbon | 6670±2110 | 0.57 ± 0.18 | 10900(c) |
| Cyanomethanimine | HNCHCN | Water | 6750±2100 | 0.58 ± 0.18 | |
| Methyl isocyanate | CH3NCO | Carbon | 3360 ±1440 | 0.29 ± 0.12 | 6486(d) |
| Methyl isocyanate | CH3NCO | Water | 2990 ±1490 | 0.26 ± 0.13 | |
| Acetamide | CH3C(O)NH2 | Carbon | 8420 ± 520 | 0.73 ± 0.04 | – |
| Acetamide | CH3C(O)NH2 | Water | 8350±530 | 0.72 ± 0.04 | – |
| N-Methylformamide | CH3NHCHO | Carbon | 7920 ±1290 | 0.68 ± 0.11 | 7386(d) |
| N-Methylformamide | CH3NHCHO | Water | 7880±1340 | 0.68 ± 0.11 | |
| Carbamide / Urea | NH2C(O)NH2 | Carbon | 11930±4350 | 1.02 ± 0.37 | – |
| Carbamide / Urea | NH2C(O)NH2 | Water | 11960±4350 | 1.03 ± 0.37 | – |
| Ethenediol | HOCHCHOH | Carbon | 9130±3230 | 0.79 ± 0.28 | – |
| Ethenediol | HOCHCHOH | Water | 8840 ± 3240 | 0.76 ± 0.28 | – |
| Ethanolamine | HOCH2CH2NH2 | Carbon | 8550 ± 2250 | 0.74 ± 0.19 | – |
| Ethanolamine | HOCH2CH2NH2 | Water | 8380 ± 2260 | 0.72 ± 0.19 | – |
| Allenyl acetylene | H2CCCHCCH | Carbon | 4360±370 | 0.37 ± 0.03 | – |
| Allenyl acetylene | H2CCCHCCH | Water | 5120 ± 320 | 0.44 ± 0.03 | – |
| Propargyl cyanide(†) | HCCCH2CN | Carbon | 6840 ± 650 | 0.59 ± 0.05 | 18750(c) |
| Propargyl cyanide(†) | HCCCH2CN | Water | 9520 ± 310 | 0.82 ± 0.03 | |
| Cyanoallene(†) | CH2CCHCN | Carbon | 6840 ± 650 | 0.59 ± 0.06 | – |
| Cyanoallene(†) | CH2CCHCN | Water | 9520 ± 310 | 0.82 ± 0.03 | – |
| Cyanopropyne(†) | CH3C3N | Carbon | 6840 ± 650 | 0.59 ± 0.06 | – |
| Cyanopropyne(†) | CH3C3N | Water | 9520 ± 310 | 0.82 ± 0.03 | – |
| n-Propylcyanide(‡) | CH3CH2CH2CN | Carbon | 7320 ± 850 | 0.63 ± 0.07 | 21350(c) |
| n-Propylcyanide(‡) | CH3CH2CH2CN | Water | 9650 ± 680 | 0.83 ± 0.06 | |
| i-Propylcyanide(‡) | CH3CH(CN)CH3 | Carbon | 7320 ± 850 | 0.63 ± 0.08 | – |
| i-Propylcyanide(‡) | CH3CH(CN)CH3 | Water | 9650 ± 680 | 0.83 ± 0.07 | – |
| Hydroxyacetone | CH3C(O)CH2OH | Carbon | 6560 ± 3800 | 0.57 ± 0.33 | – |
| Hydroxyacetone | CH3C(O)CH2OH | Water | 6510±3660 | 0.56 ± 0.31 | – |
| Cyanovinylacetylene(*) | HCCCHCHCN | Carbon | 7430 ± 860 | 0.63 ± 0.07 | – |
| Cyanovinylacetylene(*) | HCCCHCHCN | Water | 10850±340 | 0.93 ± 0.03 | 22600(c) |
| Vinylcyanoacetylene(*) | H2CCHC3N | Carbon | 7430 ± 860 | 0.63 ± 0.07 | – |
| Vinylcyanoacetylene(*) | H2CCHC3N | Water | 10850 ± 340 | 0.93 ± 0.03 | – |
| Methylcyanodiacetylene | CH3C5N | Carbon | 7900 ±1000 | 0.68 ± 0.09 | 7880(c) |
| Methylcyanodiacetylene | CH3C5N | Water | 11540±480 | 0.99 ± 0.04 | |
| Cyanoacetyleneallene | H2CCCHC3N | Carbon | 8120 ± 1050 | 0.70 ± 0.09 | 26750(c) |
| Cyanoacetyleneallene | H2CCCHC3N | Water | 11700 ± 570 | 1.01 ± 0.05 | |
| 1-cyano-1,3-cyclopentadiene | c-C5H5CN | Carbon | 8260±1100 | 0.71 ± 0.09 | – |
| 1-cyano-1,3-cyclopentadiene | c-C5H5CN | Water | 11270±790 | 0.97 ± 0.07 | – |
| Cyanotriacetylene | HC7N | Carbon | 8360±1130 | 0.72 ± 0.10 | 7780(c) |
| Cyanotriacetylene | HC7N | Water | 12040 ± 630 | 1.04 ± 0.05 | |
| Cyanotetraacetylene | HC9N | Carbon | 9490±1320 | 0.82 ± 0.11 | 9380(c) |
| Cyanotetraacetylene | HC9N | Water | 12420 ±1020 | 1.07 ± 0.09 | |
| Cyanopentaacetylene | HC11N | Carbon | 10600 ±1460 | 0.91 ± 0.12 | 10980(c) |
| Cyanopentaacetylene | HC11N | Water | 12820 ±1260 | 1.10 ± 0.11 | |
| Indene | c-C9H8 | Carbon | 8930 ± 230 | 0.77 ± 0.02 | – |
| Indene | c-C9H8 | Water | 6300 ± 890 | 0.54 ± 0.08 | – |
Notes. (‡),(*),(†)Isomers with identical feature descriptions have the same BEs. Literature BE estimates are taken from (a)KIDA (Wakelam et al. 2012, http://kida.astrophy.u-bordeaux.fr) ; (b)Quan et al. (2016); (c)Shingledecker et al. (2020), the GOTHAM collaboration, and Shingledecker (priv. commun.); (d)Belloche et al. (2019).
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