Phenanthrene, 9-propyl-
Completing data — refresh the page later to see the latest
Basic information
- CAS
17024-03-2- Standard SMILES
CCCc1cc2ccccc2c2ccccc12- InChIKey
PIWHTUVAMGYSIC-UHFFFAOYSA-N- Molecular formula
- C17H16
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.12520051
Names & identifiers
- Preferred name
- Phenanthrene, 9-propyl-
- IUPAC
- 9-propylphenanthrene
- English name
- 9-N-PROPYLPHENANTHRENE
- Molecular formula
- C17H16
- Molecular weight
- 220.31
Names & synonyms
9-propylphenanthrenePhenanthrene, 9-propyl-9-Propyl-phenanthreneA3X295MYZ9NSC 338483NSC-338483UNII-A3X295MYZ9DTXSID50168821RefChem:172606DTXCID4091312PIWHTUVAMGYSIC-UHFFFAOYSA-N9-n-propylphenanthrene
Show more names
Phenanthrene, 9-propyl- (8ci)(9ci)9-n-Propylphenanthrene in isooctane
17024-03-2NSC338483SCHEMBL597663SCHEMBL7364107STK365510AKOS005442913DS-017122ST50902954
Database identifiers
- CAS
17024-03-2- PubChem CID
- 100647
- DTXSID
DTXSID50168821- UNII
- A3X295MYZ9
- Nikkaji
- J2.057.562J
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 74 °C · 74 °C
- Boiling point
- 377 · 377.0±9.0 °C(Predicted)
- Density
- 1.064 · 1.064±0.06 g/cm3(Predicted)
- Henry's Law Constant
- 1.3 · 1.3×10-1 mol/(m3Pa) at 25℃, Parnis et al. (2015)
- FDA UNII
- 3 X295MYZ9 · A3X295MYZ9
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…