National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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XIXIndex of properties
XXH-bond dimers
XXIOddities
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II.B.3. (XII.A.3.)

List of experimental bond lengths for bond type rCO

Bond lengths in Å.
Click on an entry for more experimental geometry data.
bond type Species Name Length Comment
rCO C2H4O4 Formic acid dimer 1.320
rCO CH3OCHO methyl formate 1.334 middle O to C=O
rCO C2H2O4 Oxalic Acid 1.336
rCO C4H5NO 3-Methylisoxazole 1.342 !assumed
rCO C4H5NO Isoxazole, 5-methyl- 1.342 !assumed
rCO HCOOH Formic acid 1.343
rCO C3H3NO Isoxazole 1.344
rCO C4H8O2 Ethyl acetate 1.345 rg, from =O to O
rCO CH3CH(NH2)COOH Alanine 1.347
rCO HOCH2COOH Hydroxyacetic acid 1.349
rCO CF3COOH trifluoroacetic acid 1.353
rCO CH2C(CH3)OCH3 1-Propene, 2-methoxy- 1.353 C has two C bonds
rCO H2NCH2COOH Glycine 1.357
rCO C3H3NO Oxazole 1.357 to side with N
rCO CH3COOH Acetic acid 1.361
rCO C4H4O Furan 1.362
rCO C6H5OH phenol 1.364 rs
rCO C3H2O3 vinylene carbonate 1.364
rCO CHOOCHO diformyl ether 1.364
rCO C3H3NO Oxazole 1.370 opp side of N
rCO CH2CHOH ethenol 1.372
rCO C3H8O2 Methane, dimethoxy- 1.382 middle C
rCO C3H2O3 vinylene carbonate 1.385
rCO C4H2O3 Maleic Anhydride 1.386
rCO CH2O2 Dioxirane 1.388 rs
rCO CH3CH2O Ethoxy radical 1.388
rCO CHOOCHO diformyl ether 1.389
rCO CH3OCl methyl hypochlorite 1.389
rCO CH2CHOCHCH2 Vinyl ether 1.389 average
rCO C4H8O2 1,3-Dioxane 1.393 to C in between O
rCO CF3OF Trifluoromethylhypofluorite 1.395
rCO C6H5OCH3 Anisole 1.399 r0
rCO C5H8O 2H-Pyran, 3,4-dihydro- 1.405 !assumed, C has a =
rCO CH3O Methoxy radical 1.405
rCO HOCH2COOH Hydroxyacetic acid 1.406
rCO CH3OC2H5 Ethane, methoxy- 1.407 ethyl
rCO C4H10O Methyl propyl ether 1.408 propyl side
rCO C3H8O2 1,3-Propanediol 1.410
rCO C4H10O2 Ethane, 1,2-dimethoxy- 1.410
rCO CH3OCH3 Dimethyl ether 1.411 rs
rCO C4H10O Ethoxy ethane 1.411 rs
rCO C4H10O Methyl propyl ether 1.413 methyl side
rCO CH3OC2H5 Ethane, methoxy- 1.415 to methyl
rCO C5H12O Butane, 1-methoxy- 1.415 from outside
rCO C4H10O Propane, 2-methoxy- 1.416 to end C
rCO CH2C(CH3)OCH3 1-Propene, 2-methoxy- 1.416 methyl C
rCO C5H8O 2H-Pyran, 3,4-dihydro- 1.420 !assumed, C has a -
rCO C3H8O2 Propylene glycol 1.420
rCO C2H6O2 1,2-Ethanediol 1.420 !assumed
rCO C5H10O 2H-Pyran, tetrahydro- 1.420
rCO C3H6O3 1,3,5-Trioxane 1.421
rCO C4H8O2 1,3-Dioxolane, 2-methyl- 1.422 average
rCO C4H10O Propane, 2-methoxy- 1.422 to propyl side
rCO C3H6O2 1,3-Dioxolane 1.423 average
rCO C2H4O Ethylene oxide 1.425
rCO CH3OH Methyl alcohol 1.427
rCO C3H6O 2-Propen-1-ol 1.428
rCO C4H8O Furan, tetrahydro- 1.428
rCO C2H5NO3 Nitric acid, ethyl ester 1.430
rCO CH3CH2OH Ethanol 1.431
rCO C3H8O2 Methane, dimethoxy- 1.432 end C
rCO CH3CH(CH3)ONO Isopropyl nitrite 1.432
rCO C6H5OCH3 Anisole 1.433 r0
rCO C3H6O Propylene oxide 1.436 !assumed
rCO CH3OCHO methyl formate 1.437 end C
rCO CH3NO3 Methyl nitrate 1.437
rCO CH3ONO Methyl nitrite 1.437 cis structure
rCO C4H8O2 1,3-Dioxane 1.439
rCO C4H6O Furan, 2,5-dihydro- 1.440
rCO C3H5ClO Oxirane, (chloromethyl)- 1.442
rCO C4H10O Ethanol, 1,1-dimethyl- 1.446
rCO C3H6O Oxetane 1.446
rCO C5H12O Butane, 1-methoxy- 1.448
rCO C4H8O2 Ethyl acetate 1.448 rg, from O
 
Average 1.399 ±0.034
Min 1.320
Max 1.448