ChemSpider | CSID:11518 | C6H11BrO2

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ChemSpider ID: 11518
Molecular Formula: C₆H₁₁BrO₂
Monoisotopic mass: 193.994235 Da
Systematic name
SMILES and InChIs

SMILES:

BrC(CCCC)C(O)=O Copied

Std. InChI:

Copied

Std. InChIKey:

- 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:	2.448	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	-0.06	ACD/LogD (pH 7.4):	-1.22
ACD/BCF (pH 5.5):	1.00	ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 5.5):	1.60	ACD/KOC (pH 7.4):	1.00
#H bond acceptors:	2	#H bond donors:	1
#Freely Rotating Bonds:	4	Polar Surface Area:	37.3 Å²
Index of Refraction:	1.487	Molar Refractivity:	39.1 cm³
Molar Volume:	135.7 cm³	Polarizability:	15.5 10^-24cm³
Surface Tension:	40.3 dyne/cm	Density:	1.436 g/cm³
Flash Point:	104.1 °C	Enthalpy of Vaporization:	52.52 kJ/mol
Boiling Point:	240 °C at 760 mmHg	Vapour Pressure:	0.0131 mmHg at 25°C

Click to predict properties on the Chemicalize site

Spectra

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