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Home All issues Volume 676 (August 2023) A&A, 676 (2023) A80 Full HTML
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Table A.1

Molecular constants

Molecule Name Mass amu Ix Iy amu A2 Iz σ
C2H4 Ethylene 28 19.08 16.17 2.92 2
CH2NH Methanimine 29 16.47 14.43 2.04 2
(CH2-O)x POM 30 14.33 12.86 1.47 2
C2H6 Ethane 30 25.17 25.17 6.31 1
N2H2 Diazine 30 14.05 13.00 1.05 1
CH3NH2 Methylamine 31 22.75 21.84 4.96 1
N2H4 Hydrazine 32 20.55 18.71 3.55 1
NH2OH Hydroxylamine 33 18.70 17.25 2.59 1
CH3CCH Propyne 40 53.74 53.74 3.17
CH3NC methylisocyanide 41 45.53 45.53 3.17
HCCNH2 Ethynamine 41 59.06 57.52 1.54 1
c-NCHCH2 2H-azirine 41 30.27 19.54 14.32 1
CH2CHCH3 Propene 42 58.92 51.88 10.18 1
H2CCO Ketene 42 48.01 46.54 1.47
HCCOH Ethynol 42 49.29 48.46 0.83 1
CH2CHNH2 Vinylamine 43 52.82 44.71 8.15 1
CH3CHNH Ethanimine 43 52.95 44.79 8.18 1
HNCO Isocyanic acid 43 45.07 44.48 0.60 1
C3H8 Propane 44 68.51 60.81 17.11 1
CH2CHOH Vinyl alcohol 44 50.29 43.50 6.78 1
CH3CH2NH2 Ethylamine 44 64.69 56.89 15.38 1
CH3CHO Acetaldehyde 44 52.38 46.79 8.74 1
N2O Nitrous oxide 44 39.93 39.93 0.00 1
Ammonium cyanide 44 146.76 146.73 2.83 1
CH3CH2OH Ethanol 46 63.28 55.54 14.04 1
CH3OCH3 Dimethylether 46 52.46 46.86 8.78 1
HCOOH Formic acid 46 44.30 38.99 5.32 1
NO2 Nitrogen dioxide 46 35.88 32.57 3.30
HOCH2NH2 Aminomethanol 47 60.30 52.63 12.12 1
CH3OOH Methylhydroperoxide 48 51.92 45.92 10.77 1
CH3PH2 methylphosphine 48 34.89 34.54 5.94 1
CH3SH Methanethiol 48 40.03 38.25 4.95 1
HOCH2OH Methanediol 48 59.02 51.41 10.77 1
H2POH Hydroxyphospine 50 29.81 28.86 3.63 1
HC2CHO Propynal 54 96.61 88.73 7.88 1
c-H2C3O Cyclopropenone 54 73.92 58.67 15.25 1
CH2CHCHO Propenal 56 111.51 102.48 9.03 1
NH2CH2CN Amino acetonitrile 56 108.85 97.55 15.76 1
c-C3H4O cyclopropanone 56 82.11 64.18 25.05 1
CH3NCO Methyl isocyanate 57 107.16 100.76 9.58 1
HOCH2CN Glycolonitrile 57 108.34 97.44 14.06 1
C4H10 n-Butane 58 150.85 141.82 21.56 1
CH2CHCH2OH Allyl alcohol 58 126.85 118.55 16.30 1
CH3CH2CHO Propanal 58 115.73 112.38 19.84 1
CH3CHCH2O Propylene oxide 58 86.19 78.08 27.92 1
CH3CHCHOH 1-Propenol 58 108.21 87.30 24.05 1
CH3COCH3 Acetone 58 97.26 57.70 45.87 1
CH2CH(OH)CH3 2-propenol 59 94.16 52.54 44.76 1
CH3CONH2 Acetamide 59 90.84 52.18 41.81 1
CH3NHCHO N-Methylformamide 59 114.82 107.36 10.60 1
CH3OCH2CH3 Ethyl methyl ether 59 136.12 128.10 17.51 1
(CH2NH2)2 Ethylenediamine 60 143.37 134.37 18.46 1
(CHO)2 Glyoxal 60 104.37 96.66 7.71 1
CH3CH2CH2OH 1-Propanol 60 145.92 136.47 18.86 1
CH3COOH Acetic acid 60 87.60 49.39 41.37 1
CH3OCHO Methyl formate 60 107.99 102.32 8.84 1
H2CC(OH)2 1,1-Ethenediol 60 84.34 45.49 38.85 1
HOCH2CHO Glycolaldehyde 60 111.18 108.06 16.40 1
HOCHCHOH 1,2-Ethenediol 60 115.96 108.00 7.96 1
NH2CONH2 Carbamide 60 84.30 44.12 40.18 2
amu amu A2
OCS Carbonyl sulfide 60 87.51 87.51 0.00 1
Ammonium cyanate 60 – – – –
c-C3H2O Cyclopropenone 60 73.92 58.67 15.25 2
NH2CH(CH3)OH alpha-aminoethanol 61 104.80 60.80 56.14 1
NH2COOH Carbamic acid 61 81.24 41.21 40.04 1
[H3O+][OCN−] Hydronium cyanate 61 – – –
(CH2 OH)2 Ethylene glycole 62 107.48 89.15 33.76 1
CH3OCH2OH Methoxymethanol 62 132.67 124.49 14.55 1
CH3OOCH3 Dimethylperoxide 62 118.60 111.24 13.74 1
CH3SCH3 Dimethyl sulphide 62 88.29 66.38 28.27 1
H2CO3 Carbonic acid 62 84.91 42.46 42.45 1
HCOPH2 Formylphosphine 62 95.53 86.63 8.90 1
HCOSH Thioformic acid 62 84.10 75.66 8.45 1
Ammonium formate 63 – – – –
SO2 Sulfurdioxide 64 61.48 42.00 0.00 1
H2P(O)OH Phosphinic acid 66 70.60 54.68 21.39 1
H2S2 Hydrogen disulfide 66 73.02 72.66 3.58 1
H2SO2 Sulfoxylic acid 66 73.97 51.93 25.33 1
P2H4 Diphosphine 66 55.84 55.26 5.62 1
CH2OCHCN Cyanoethylene oxide 69 141.53 135.73 27.90 1
CH3COCN Acetyl cyanide 69 150.27 107.53 45.89 1
CHOCH2CN Cyanoacetaldehyde 69 141.53 135.73 27.90 1
H3SiC(H)CO Silylketene 72 147.38 138.24 9.14 1
(CH3)2NCHO N-N-Dimethylformamide 73 163.06 115.34 55.81 1
CH3C(O)OCH3 Methyl acetate 74 159.72 120.32 46.17 1
CH3CH2OCHO Ethyl formate 74 213.27 199.56 20.02 1
HCOCOOH Glyoxylic acid 74 144.61 104.85 39.76 1
[CH3 NH+][NCO−] Methylammonium cyanate 74 – – – –
HC5N Cyanobutadiyne 75 328.74 328.74 0.00 1
NH2CH2COOH Glycine 75 152.20 122.27 50.91 1
CH3CH2CH2SH n-Propanethiol 76 227.55 216.26 20.70 1
CH3OCOOH Carbonic acid monomethyl ester 76 150.24 113.70 39.89 1
HOCH2COOH Glycolic acid 76 153.30 122.07 49.05 1
NCCCCN Dicyanoacetylene 76 327.44 327.44 0.00 1
Ammonium acetate 77 – – – –
C6H6 Benzene 78 178.19 89.10 89.09 6
H2PCOOH Phosphinecarboxylic acid 78 145.75 104.19 44.42 1
Ammoniumcarbamate 78 287.19 248.62 49.82 1
CH3P2H3 methyldiphosphine 80 144.88 134.69 18.63 1
PH2CH2PH2 methylenediphosphine 80 144.84 134.66 18.56 1
C4H4S Thiophene 84 157.93 98.37 59.56 1
c-C6H12 Cyclohexane 84 201.70 116.67 116.65 1
C6H14 Hexane 86 473.94 458.27 34.41 1
CH3COCOCH3 2,3-Butanedione / diacetyl 86 219.84 148.14 87.40 1
CH2C(OH)COOH 2-Hydroxyacrylic acid 88 209.94 133.12 76.82 1
CH3COCOOH Pyruvic acid 88 213.52 136.19 80.48 1
HOCH2CH(OH)CHO Glyceraldehyde 90 285.64 243.94 57.82 1
CH3C6H5 Toluene 92 288.03 199.12 92.08 3
HOCH(CH2OH)2 Glycerol 92 311.26 269.19 62.35 1
CH3P(O)(OH)2 Methylphosphonic acid 96 110.04 108.06 94.31 1
S3 Trisulfur 96 187.14 143.31 43.83 2
P3H5 Triphosphane 98 154.78 128.94 34.16 1
C6H5CCH Phenylacetylene 102 401.67 312.32 89.35 2
c-C6H5CN Benzonitrile 103 401.22 311.94 89.28 2
C6H5CHCH2 Styrene 104 412.59 319.77 98.38 1
(CH3)2C6H4 p-Xylene 106 437.34 348.78 94.87 2
C6H5CHO Benzaldehyde 106 412.51 316.64 95.87 1
CH3CH2C6H5 Ethylbenzene 106 411.55 340.25 112.86 1
C4H5N3O Cytosine 111 715.27 471.06 244.23 1
C8H18 Octane 114 1069.05 1046.62 47.45 1
C5H6N2O2 Thymine 126 476.79 329.82 150.13 1
C10H8 Naphthalene 128 571.60 411.14 160.46 2
S4 Tetrasulfur 128 371.39 246.23 125.16 2
C6H15N3 AAT 129 543.23 302.24 299.79 1
C5H5N5 Adenine 135 530.47 319.98 210.54 1
C10H22 Decane 142 2046.04 2017.46 59.88 1
CH3I Methyl iodide 142 66.39 66.39 3.17 3
C5H5N5O Guanine 151 715.27 471.06 244.23 1
[C6H15N3H+][HCOO−] AATF salt 175 – – – –
C14H10 Phenanthrene 178 1231.44 921.82 309.62 2
C24H12 Coronene 300 3009.29 1504.65 1504.64 6
C32H14 Ovalene 398 5511.77 3406.56 2105.21 2
C60 Fullerene 720 5214.32 5214.30 5214.24 3

Notes. POM = Polyoxymethylene, AAT = Acetaldehyde Ammonia Trimer, AATF salt = Acetaldehyde Ammonia Trimer Formate salt. For the salts no moments of inertia or symmetry factors have been listed.

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