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Adipic acid

ChemSpider ID: 13887813
Molecular Formula: C₆H₁₀O₄
Monoisotopic mass: 146.057907 Da
Systematic name

Adipic acid
SMILES and InChIs

SMILES:

O=C(O)CCCCC(O)=O Copied

Std. InChI:

InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) Copied

Std. InChIKey:

WNLRTRBMVRJNCN-UHFFFAOYSA-N Copied

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Properties

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	0.079	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	-1.56	ACD/LogD (pH 7.4):	-4.54
ACD/BCF (pH 5.5):	1.00	ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 5.5):	1.00	ACD/KOC (pH 7.4):	1.00
#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:	32.975 cm³
Molar Volume:	116.827 cm³	Polarizability:	13.072 10^-24cm³
Surface Tension:	52.4860000610352 dyne/cm	Density:	1.251 g/cm³
Flash Point:	172.745 °C	Enthalpy of Vaporization:	63.952 kJ/mol
Boiling Point:	338.539 °C at 760 mmHg	Vapour Pressure:	0 mmHg at 25°C

Click to predict properties on the Chemicalize site

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