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ammonia; dodecyl sulfate

ChemSpider ID: 10677702
Molecular Formula: C₁₂H₂₈NO₄S
Monoisotopic mass: 282.174438 Da
Systematic name

ammonia; dodecyl sulfate
SMILES and InChIs

SMILES:

N.[O-]S(=O)(=O)OCCCCCCCCCCCC Copied

Std. InChI:

InChI=1S/C12H26O4S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);1H3/p-1 Copied

Std. InChIKey:

BTBJBAZGXNKLQC-UHFFFAOYSA-M 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:		# of Rule of 5 Violations:
ACD/LogD (pH 5.5):		ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5):		ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5):		ACD/KOC (pH 7.4):
#H bond acceptors:	5	#H bond donors:	4
#Freely Rotating Bonds:	12	Polar Surface Area:	74.81 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	206.6 °C	Enthalpy of Vaporization:	73.65 kJ/mol
Boiling Point:	417.9 °C at 760 mmHg	Vapour Pressure:	3.72E-08 mmHg at 25°C

Click to predict properties on the Chemicalize site

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