Inherent Properties, Identifiers and References
ChemSpider ID: 973
Empirical Formula: C8H8O
Molecular Weight: 120.1485
Nominal Mass: 120 Da
Average Mass: 120.1485 Da
Monoisotopic Mass: 120.057515 Da
Quick Links: Permalink Similar Isomers
Systematic Name:
SMILES: O=CCc1ccccc1
InChI:
InChIKey: -
(Details...) Original Reference(s)
Data SourceExternal ID(s)
UsefulChemUC0066
(Details...) Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

Phenylace​taldehyde

.alpha.-T​olualdehy​de

.alpha.-T​oluic ald​ehyde

122-78-1 [RN]

1-Oxo-2-p​henyletha​ne

204-574-5 [EINECS/ELINCS]

2-phenyla​cetaldehy​de

2-Phenyle​thanal

Acetaldeh​yde, phen​yl-

alpha-Tol​ualdehyde

More...
(Details...) Database ID(s)

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FEMA No. ​2974

(Details...) Predicted Properties
LogP: ACD/LogP: 1.78
ALOGPS: 1.75 		# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 1.78 ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 5.5): 13.25 ACD/BCF (pH 7.4): 13.25
ACD/KOC (pH 5.5): 221.2 ACD/KOC (pH 7.4): 221.2
#H bond acceptors: 1 #H bond donors: 0
#Freely Rotating Bonds: 2 Polar Surface Area: 17.07 Å2
Index of Refraction: 1.513 Molar Refractivity: 35.98 cm3
Molar Volume: 119.5 cm3 Polarizability: 14.26 10-24cm3
Surface Tension: 35.9 dyne/cm Density: 1.004 g/cm3
Flash Point: 89.2 °C Enthalpy of Vaporization: 43.42 kJ/mol
Boiling Point: 198 °C at 760 mmHg Vapour Pressure: 0.368 mmHg at 25°C