Open Access

Table C.1

Laboratory data tested in the global fit performed with ENIIGMA.

Label Temperature (K) Resolution (cm–1 ) Databasea Reference
Simple molecules (less than 6 atoms) and hydrocarbons

H2O 15–160 2.0 LIDA [1]
CH4 10–30 1.0 OCdb [2]
CO 10 1.0 LIDA [3]
HCOOH 15–165 1.0 LIDA [4]
NH3:CO2 (3:1) 20 1.0 [5]
H2O:CO2 (10:1) 10 1.0 LIDA [6]
H2O:CO2 (1:10) 10 1.0 LIDA [6]
H2O:CO2 (1:6) 10 1.0 LIDA [6]
H2O:CO2 (1:1) 10 1.0 LIDA [6]
H2O:CO2:CH4 (10:1:1) 10 2.0 UNIVAP [7]
H2O:CO (1:0.14) 10 1.0 LIDA [3]
SO2:CH3OH(1:1) 15 1.0 LIDA [8]
H2O:CH4 (10:1) 15 1.0 UNIVAP [7]
H2O:NH3 (10:1.6) 10 2.0 LIDA [9]
CO:CO2 (2:1) 40–80 0.5 LIDA [10]
CO:CO2 (1:0.7) 10 0.5 LIDA [10]
CO2:CH3OH(1:1) 10 1.0 LIDA [6]
CO2:CH3OH (3:1) 10 1.0 LIDA [6]
CO2:CH3OH(1:3) 10 1.0 LIDA [6]
C2H2 15 1.0 NASA [11]
C2H4 15 1.0 NASA [12]
C2H6 15 1.0 NASA [12]
HCOOH:H2O:CO2 (0.1:1.0:0.4) 15 1.0 LIDA [4]
N2O (irr,) 14 1.0 [13]
N2O 10 1.0 [13]
N2O:H2O(1:30) 14 1.0 [13]
NO2:N2O4 (1:1) 16 1.0 [14]
NO2:N2O4 (1:1) 60 1.0 [14]

Ionsc

OCN: HNCO:NH3 (1:1) 15 1.0 LIDA [15]
HCOO: H2O:NH3:HCOOH (100:2.6:2) 14–210 1.0 LIDA [16]
HCOO: NH3:HCOOH (1.3:1) 14–210 1.0 LIDA [16]

COMs (more than 6 atoms)

CH3OH 10–120 1.0 OCdb [2]
CH3CHO 15–120 1.0 LIDA [17]
CH3CN 15–150 1.0 LIDA [18]
CH3OCH3 15–100 1.0 LIDA [17]
CH3COCH3 15–100 1.0 LIDA [19]
CH3CH2OH 15–150 1.0 LIDA [17]
CH3OCHO 15–120 1.0 LIDA [20]
CH3COOH 10 1.0 NASA [21]
CH3NH2 10 1.0 LIDA [22]
CH3CH2CH2OH 13 1.0 NASA [23]
HC(O)CH2CH3 10 1.0 NASA [24]
CH3CH2OH:H2O(1:20) 15–160 1.0 LIDA [17]
CH3CH2OH:CO(1:20) 15. 30 1.0 LIDA [17]
CH3CH2OH:CH3OH (1:20) 15–150 1.0 LIDA [17]
CH3CH2OH:CO:CH3OH (1:20:20) 15–150 1.0 LIDA [17]
CH3CHO:H2O(1:20) 15–120 1.0 LIDA [17]
CH3CHO:CO(1:20) 15, 30 1.0 LIDA [17]
CH3CHO:CH3OH (1:20) 15–140 1.0 LIDA [17]
CH3CHO:CO:CH3OH (1:20:20) 15–120 1.0 LIDA [17]
CH3OCH3:H2O (1:20) 15–160 1.0 LIDA [17]
CH3OCH3:CO (1:20) 15, 30 1.0 LIDA [17]
CH3OCH3:CH3OH (1:20) 15–120 1.0 LIDA [17]
CH3OCH3:CO:CH3OH (1:20:20) 15–100 1.0 LIDA [17]
CH3COCH3:H2O(1:20) 15–160 1.0 LIDA [19]
CH3COCH3:CO (1:20) 15, 30 1.0 LIDA [19]
CH3COCH3:CO2 (1:20) 15–100 1.0 LIDA [19]
CH3COCH3:CH3OH (1:20) 15–140 1.0 LIDA [19]
CH3COCH3:H2O:CO2 (1:2.5:2.5) 15–160 1.0 LIDA [19]
CH3COCH3:CO:CH3OH (1:2.5:2.5 ) 15–140 1.0 LIDA [19]
CH3OCHO:H2O(1:20) 15–120 1.0 LIDA [20]
CH3OCHO:CO (1:20) 15–120 1.0 LIDA [20]
CH3OCHO:H2CO(1:20) 15–120 1.0 LIDA [20]
CH3OCHO:CO:H2CO:CH3OH (1:20:20:20) 15–120 1.0 LIDA [20]
CH3COOH:H2O (1:20) 10 1.0 NASA [21]
CH3NH2:H2O (1:20) 15–150 1.0 LIDA [22]
CH3NH2:NH3 (1:20) 15–150 1.0 LIDA [22]
CH3NH3:CH3 (1:20) 15–150 1.0 LIDA [22]
CH3CN:H3O(1:20) 15–150 1.0 LIDA [22]
CH3CN:CO (1:20) 15–100 1.0 LIDA [18]
NH2CHO:H2O (7:100) 15–160 1.0 LIDA [25]
NH2CHO:CO (4:100) 15–34 1.0 LIDA [25]
HCOCH3OH:H3O (1:18) 10 1.0 NASA [26]
CH3OH:CO(1:4) 15 1.0 LIDA [27]
CH3OH:NH3 (1:1) 15 1.0 UNIVAP [28]
CH3OH:H2O (10:0.8) 10 1.0 [29]
HCOOH:H2O:CH3OH (0.1:1.0:0.4) 15 1.0 LIDA [4]

Notes. [1] Öberg et al. (2007); [2] Hudgins et al. (1993); [3] Ehrenfreund et al. (1997); [4] Bisschop et al. (2007); [5] James et al. (2021); [6] Ehrenfreund et al. (1999); [7] Rocha et al. (2017); [8] Boogert et al. (1997); [9] http://strw.leidenuniv.nl/~schutte/database/H2O_NH3_20.10K; [10] Schutte (1999); [11] Hudson et al. (2014a); [12] Hudson et al. (2014b); [13] Bergantini et al. (2022); [14] Fulvio et al. (2009); [15] Novozamsky et al. (2001); [16] Gàlvez et al. (2010); [17] Terwisscha van Scheltinga et al. (2018); [18] Rachid et al. (2022); [19] Rachid et al. (2020); [20] Terwisscha van Scheltinga et al. (2021); [21] No reference found - taken from the NASA Ice Database (Pure: https://science.gsfc.nasa.gov/691/cosmicice/spectra/refspec/Acids/CH3COOH/ACETIC–W.txt, Mixture: https://science.gsfc.nasa.gov/69l/cosmicice/spectra/8_compounds/Combined_spectra_2018-12-20.xlsx); [22] Rachid et al. (2021); [23] Hudson & Gerakines (2019); [24] Yarnall et al. (2020); [25] Slavicinska et al. (2023); [26] Hudson et al. (2005); [27] Cuppen et al. (2011); [28] Rocha et al. (2020); [29] Dawes et al. (2016), a Each spectral data was recorded for the temperature indicated in this table. b LIDA: The Leiden Ice Database for Astrochemistry (https://icedb.strw.leidenuniv.nl/); OCdb: The Optical Constant Database (https://ocdb.smce.nasa.gov/); UNIVAP: https://wwwl.univap.br/gaa/nkabs-database/data.htm; NASA Cosmic Ice Laboratory: https://science.gsfc.nasa.gov/69l/cosmicice/spectra.html.c Only in the case of the ions, the ratios of the mixtrues correspond to the deposition values. The ratios of the products are not available.

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