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1,3-Butadiene - methane (1:1)

ChemSpider ID: 14339373
Molecular Formula: C₅H₁₀
Average mass: 70.132896 Da
Monoisotopic mass: 70.078247 Da
Systematic name

1,3-Butadiene - methane (1:1)
SMILES and InChIs

SMILES:

C.C=CC=C Copied

Std. InChI:

InChI=1S/C4H6.CH4/c1-3-4-2;/h3-4H,1-2H2;1H4 Copied

Std. InChIKey:

DJUPFIOIAPUORG-UHFFFAOYSA-N Copied
Cite this record
CSID:14339373, http://www.chemspider.com/Chemical-Structure.14339373.html (accessed 02:52, 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:	2.951	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	2.95	ACD/LogD (pH 7.4):	2.95
ACD/BCF (pH 5.5):	102.95	ACD/BCF (pH 7.4):	102.95
ACD/KOC (pH 5.5):	959.98	ACD/KOC (pH 7.4):	959.98
#H bond acceptors:	0	#H bond donors:	0
#Freely Rotating Bonds:	1	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:	25.08 kJ/mol
Boiling Point:	14.1 °C at 760 mmHg	Vapour Pressure:	1120 mmHg at 25°C

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