Table 1
Derived physical parameters for C3H6O2 isomers that we searched for toward G+0.693-0.027.
| Molecule | Formula | ∆Ea (kcal mol−1/K) |
μ(tot)a (D) |
N (×1013 cm−2) |
Tex (K) |
vLSR (km s−1) |
FWHM (km s−1) |
Abundance b (×10−10) |
Statusc |
|---|---|---|---|---|---|---|---|---|---|
| propionic acid | CH3CH2C(O)OH | 0.0/0.0 | 1.6 | ≤2 | 15 d | 68 d | 21d | ≤1.5 | nd |
| methyl acetate | CH3C(O)OCH3 | 9.2/4646 | 1.9 | 22 ± 2 | 15±2 | 68 ± 1 | 21d | 16±3 | d |
| anti -ethyl formate | a-CH3CH2OC(O)H | 13.6/6820 | 2.2 | 1.82 ± 0.15 | 15 d | 68 d | 21d | 1.3 ± 0.2 | d |
| gauche-ethyl formate | g-CH3CH2OC(O)H | 13.9/7014 | 2.0 | 1.9 ± 0.2 | 15 d | 68(d) | 21d | 1.4 ± 0.3 | td |
| hydroxyacetone | CH3C(O)CH2OH | 18.9/9510 | 3.3 | 2.11 ± 0.13 | 15 d | 68 d | 21d | 1.6 ± 0.2 | d |
| lactaldehyde | CH3CH(OH)C(O)H | 23.8/11997 | 2.6 | 1.10 ± 0.13 | 15 d | 68 d | 21 d | 0.81 ± 0.16 | fd |
| 3-hydroxypropanal | HO(CH2)2C(O)H | 26.3/13239 | 3.0 | 0.86 ± 0.14 | 12 d | 69 d | 21(d) | 0.64 ± 0.14 | td |
| methoxyacetaldehyde | CH3OCH2C(O)H | 38.9/19581 | 3.0 | 0.33 ± 0.03 | 15 d | 68 d | 21 d | 0.24 ± 0.04 | fd |
| glycidol | c-CH2OCHCH2OH | 51.0/25674 | 1.7 | ≤0.5 | 15 d | 68 d | 21 d | ≤0.37 | nd |
Notes. a Relative energies (including ZPE corrections) and total electric dipole moments are computed at the B2PLYPD3/aug-cc-pVTZ level of theory (Grimme et al. 2011) using the Gaussian 16 program package (Frisch et al. 2016). b We adopted NH2 = 1.35×1023 cm−2, from Martín et al. (2008), assuming an uncertainty of 15% of its value. c Status of the search for each species toward G+0.693: d = detection, fd = first detection, td = tentative detection, and nd = non-detection. d Values fixed in the fit.
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