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Acetone - methane (1:1)

ChemSpider ID: 13789759
Molecular Formula: C₄H₁₀O
Average mass: 74.121597 Da
Monoisotopic mass: 74.073166 Da
Systematic name

Acetone - methane (1:1)
SMILES and InChIs

SMILES:

C.CC(C)=O Copied

Std. InChI:

InChI=1S/C3H6O.CH4/c1-3(2)4;/h1-2H3;1H4 Copied

Std. InChIKey:

CKJRQPWAXMFUCK-UHFFFAOYSA-N Copied
Cite this record
CSID:13789759, http://www.chemspider.com/Chemical-Structure.13789759.html (accessed 00:30, May 24, 2012) 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:	0.933	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	0.93	ACD/LogD (pH 7.4):	0.93
ACD/BCF (pH 5.5):	3.01	ACD/BCF (pH 7.4):	3.01
ACD/KOC (pH 5.5):	76.63	ACD/KOC (pH 7.4):	76.63
#H bond acceptors:	1	#H bond donors:	0
#Freely Rotating Bonds:	0	Polar Surface Area:	17.07 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:	27.47 kJ/mol
Boiling Point:	29 °C at 760 mmHg	Vapour Pressure:	654 mmHg at 25°C

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