Please login to be able to add spectra, identifiers, links and publications.
  • Comments
  • Add:
Inherent Properties, Identifiers and References
ChemSpider ID: 7570
Empirical Formula: C3H6O
Molecular Weight: 58.0791
Nominal Mass: 58 Da
Average Mass: 58.0791 Da
Monoisotopic Mass: 58.041865 Da
Quick Links: Permalink Similar Isomers
Systematic Name:
SMILES: C=CCO
InChI:
InChIKey: -
Associated Data Sources and Commercial Suppliers Filter
Names and Synonyms

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

107-18-6 [RN]

1-Hydroxy​-2-propene

1-Propen-​3-ol

1-Propeno​l-3

203-470-7 [EINECS/ELINCS]

2-Propen-​1-ol

2-Propeny​l Alcohol

3-Hydroxy​propene

allyl alc​ohol

Allylic a​lcohol

More...
(Details...) Predicted Properties
LogP: ACD/LogP: 0.17
ALOGPS: -0.03 		# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 0.17 ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 29.44 ACD/KOC (pH 7.4): 29.44
#H bond acceptors: 1 #H bond donors: 1
#Freely Rotating Bonds: 2 Polar Surface Area: 20.23 Å2
Index of Refraction: 1.402 Molar Refractivity: 17.2 cm3
Molar Volume: 70.6 cm3 Polarizability: 6.82 10-24cm3
Surface Tension: 24.5 dyne/cm Density: 0.822 g/cm3
Flash Point: 22.2 °C Enthalpy of Vaporization: 39.45 kJ/mol
Boiling Point: 99 °C at 760 mmHg Vapour Pressure: 22.3 mmHg at 25°C