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Inherent Properties, Identifiers and References
ChemSpider ID: 11392696
Empirical Formula: C3H6O
Molecular Weight: 58.0791
Nominal Mass: Da
Average Mass: Da
Monoisotopic Mass: Da
Quick Links: Permalink Similar Isomers
Systematic Name: propan-1-ol
SMILES:
InChI: InChI=1/C3H6O/c1-2-3-4/h3-4H,1-2H2
InChIKey: RTYKXZUVXZEVEE-UHFFFAOYAX
(Details...) Original Reference(s) Filter
Data Source External ID(s)
PubMed 10813660, 16343591
SureChem (Patents) Patents - Patents Exist
(Details...) Predicted Properties
LogP: # of Rule of 5 Violations:
ACD/LogD (pH 5.5): ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5): ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5): ACD/KOC (pH 7.4):
#H bond acceptors: 0 #H bond donors: 0
#Freely Rotating Bonds: 0 Polar Surface Area: Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: °C Enthalpy of Vaporization: kJ/mol
Boiling Point: °C at 760 mmHg Vapour Pressure: mmHg at 25°C