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ethanol

ChemSpider ID: 13869559
Molecular Formula: C₂H₅O
Monoisotopic mass: Da
Systematic name

ethanol
SMILES and InChIs

SMILES:

[CH2]CO Copied

Std. InChI:

InChI=1S/C2H5O/c1-2-3/h3H,1-2H2 Copied

Std. InChIKey:

HVFGPIFTSJJAKK-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:	-0.187	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	-0.19	ACD/LogD (pH 7.4):	-0.19
ACD/BCF (pH 5.5):	1.00	ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 5.5):	18.84	ACD/KOC (pH 7.4):	18.84
#H bond acceptors:	1	#H bond donors:	1
#Freely Rotating Bonds:	1	Polar Surface Area:	20.23 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	3.242 °C	Enthalpy of Vaporization:	36.611 kJ/mol
Boiling Point:	72.62 °C at 760 mmHg	Vapour Pressure:	82.8190002441406 mmHg at 25°C

Click to predict properties on the Chemicalize site

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