Phenyl hexanoate
Basic information
- CAS
7780-16-7- Standard SMILES
CCCCCC(=O)Oc1ccccc1- InChIKey
SOOXQKVMQBCEGW-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- Phenyl hexanoate
- IUPAC
- phenyl hexanoate
- English name
- Caproic acid phenyl ester
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
Phenyl hexanoateHexanoic acid, phenyl ester7780-16-7Phenyl caproateDTXSID90335035RefChem:172959DTXCID40286124SOOXQKVMQBCEGW-UHFFFAOYSA-NphenylhexanoateSCHEMBL538653SCHEMBL5253812SCHEMBL6199731
Show more names
Caproic acid phenyl esterHexanoic acid phenyl ester
SCHEMBL6964649SCHEMBL6964653SCHEMBL9850079AKOS024335727AO-548/41104752
Database identifiers
- CAS
7780-16-7- PubChem CID
- 522678
- DTXSID
DTXSID90335035- Nikkaji
- J117.388J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 160
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
Physicochemical properties
- Melting point
- 56 · 56-57 °C
- Boiling point
- 260 °C · 260 °C
- Density
- 0.981 g/cm3 · 0.981 g/cm3
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Related reactions
5 records
Compound notes
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