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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:

-

(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