ChemSpider | CSID:974 | C8H8O2

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ChemSpider ID: 974
Molecular Formula: C₈H₈O₂
Monoisotopic mass: 136.052429 Da
Systematic name
SMILES and InChIs

SMILES:

O=C(O)Cc1ccccc1 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:	1.505	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	0.28	ACD/LogD (pH 7.4):	-1.51
ACD/BCF (pH 5.5):	1.00	ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 5.5):	9.26	ACD/KOC (pH 7.4):	1.00
#H bond acceptors:	2	#H bond donors:	1
#Freely Rotating Bonds:	2	Polar Surface Area:	37.3 Å²
Index of Refraction:	1.552	Molar Refractivity:	37.36 cm³
Molar Volume:	116.8 cm³	Polarizability:	14.81 10^-24cm³
Surface Tension:	46.7 dyne/cm	Density:	1.164 g/cm³
Flash Point:	156.2 °C	Enthalpy of Vaporization:	53.18 kJ/mol
Boiling Point:	265.5 °C at 760 mmHg	Vapour Pressure:	0.00456 mmHg at 25°C

Click to predict properties on the Chemicalize site

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