Input interpretation
3-methylpyridine | octyl isobutyrate
Chemical names and formulas
| 3-methylpyridine | octyl isobutyrate formula | C_6H_7N | (CH_3)_2CHCO_2(CH_2)_7CH_3 Hill formula | C_6H_7N | C_12H_24O_2 name | 3-methylpyridine | octyl isobutyrate IUPAC name | 3-methylpyridine | 2-methylpropanoic acid octyl ester alternate names | 3-picoline | beta-methylpyridine | beta-picoline | m-picoline | pyridine, 3-methyl- | 2-methylpropionic acid octyl ester | octyl 2-methylpropanoate mass fractions | C (carbon) 77.4% | H (hydrogen) 7.58% | N (nitrogen) 15% | C (carbon) 72% | H (hydrogen) 12.1% | O (oxygen) 16%
Structure diagrams
| 3-methylpyridine | octyl isobutyrate vertex count | 7 | 14 edge count | 7 | 13 Schultz index | 193 | 1540 Wiener index | 42 | 417 Hosoya index | 26 | 487 Balaban index | 2.123 | 3.055
3D structure
3D structure
Basic properties
| 3-methylpyridine | octyl isobutyrate molar mass | 93.13 g/mol | 200.32 g/mol phase | liquid (at STP) | liquid (at STP) melting point | -19 °C | boiling point | 144 °C | 245 °C density | 0.957 g/cm^3 | 0.856 g/cm^3 solubility in water | soluble |
Units
Hydrophobicity and permeability properties
| 3-methylpyridine experimental LogP hydrophobicity | 1.2 predicted LogP hydrophobicity | 1.11 predicted LogS | 0.33
Liquid properties
| 3-methylpyridine | octyl isobutyrate density | 0.957 g/cm^3 | 0.856 g/cm^3 vapor pressure | 4.399 mmHg | dynamic viscosity | 9.72×10^-4 Pa s | surface tension | 0.0367 N/m | refractive index | 1.504 | 1.421
Units
Thermodynamic properties
| 3-methylpyridine specific heat of vaporization | 0.402 kJ/g (kilojoules per gram) critical temperature | 645 K (kelvins) critical pressure | 4.68 MPa (megapascals)
Chemical identifiers
| 3-methylpyridine | octyl isobutyrate CAS number | 108-99-6 | 109-15-9 Beilstein number | 1366 | PubChem CID number | 7970 | 61024 PubChem SID number | 24854159 | 24901188 SMILES identifier | CC1=CN=CC=C1 | CCCCCCCCOC(=O)C(C)C