Input interpretation
cobalamin | 2-butenal
Chemical names and formulas
| cobalamin | 2-butenal formula | C_62CoH_88N_13O_14P | C_4H_6O Hill formula | C_62H_88CoN_13O_14P | C_4H_6O name | cobalamin | 2-butenal IUPAC name | | (Z)-but-2-enal alternate names | dmbc coenzyme | hydroxomin | rubivite | rubramin pc | rubratope-57 | rubratope-60 | ruvite | crotonal | crotonic aldehyde | propylene aldehyde mass fractions | C (carbon) 56% | N (nitrogen) 13.7% | O (oxygen) 16.8% | P (phosphorus) 2.33% | Co (cobalt) 4.43% | H (hydrogen) 6.67% | C (carbon) 68.5% | H (hydrogen) 8.63% | O (oxygen) 22.8%
Structure diagrams
| cobalamin | 2-butenal vertex count | 91 | 5 edge count | 112 | 4 Schultz index | 190619 | 74 Wiener index | 45180 | 20 Hosoya index | (data not available) | 8 Balaban index | 1.118 | 2.191
3D structure
3D structure
Basic properties
| cobalamin | 2-butenal molar mass | 1329 g/mol | 70.09 g/mol phase | | liquid (at STP) melting point | | -74 °C boiling point | | 102 °C density | | 0.858 g/cm^3
Units
Hydrophobicity and permeability properties
| 2-butenal predicted LogP hydrophobicity | 0.88 predicted LogS | -0.02
Liquid properties
| 2-butenal density | 0.858 g/cm^3 vapor pressure | 31 mmHg refractive index | 1.4384
Units
Thermodynamic properties
| 2-butenal specific heat of vaporization | 0.555 kJ/g (kilojoules per gram) critical temperature | 568 K (kelvins) critical pressure | 4.4 MPa (megapascals)