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Inherent Properties, Identifiers and References
ChemSpider ID: 13887813
Empirical Formula: C6H10O4
Molecular Weight: 146.1412
Nominal Mass: 146 Da
Average Mass: 146.1412 Da
Monoisotopic Mass: 146.057909 Da
Systematic Name: adipic acid
SMILES: O=C(O)CCCCC(O)=O
InChI:
InChIKey: -
Std. InChI: InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
Std. InChIKey: WNLRTRBMVRJNCN-UHFFFAOYSA-N
(Details...) Predicted Properties
LogP: ACD/LogP: 0.08
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1 ACD/KOC (pH 7.4): 1
#H bond acceptors: 4 #H bond donors: 2
#Freely Rotating Bonds: 5 Polar Surface Area: 74.6 Å2
Index of Refraction: 1.476 Molar Refractivity: 32.97 cm3
Molar Volume: 116.8 cm3 Polarizability: 13.07 10-24cm3
Surface Tension: 52.4 dyne/cm Density: 1.25 g/cm3
Flash Point: 172.7 °C Enthalpy of Vaporization: 63.95 kJ/mol
Boiling Point: 338.5 °C at 760 mmHg Vapour Pressure: 1.81E-05 mmHg at 25°C