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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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