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Allyl Benzoate

ChemSpider ID: 10928
Molecular Formula: C₁₀H₁₀O₂
Monoisotopic mass: 162.06808 Da
Systematic name
SMILES and InChIs

SMILES:

O=C(OCC=C)c1ccccc1 Copied

Std. InChI:

Copied

Std. InChIKey:

- Copied

Names and Identifiers

Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

2-PROPENYL BENZOATE

Allyl Benzoate

Benzoic acid, 2-propenyl ester

Benzoic acid, allyl ester

Benzoic acid, allyl ester (8CI)

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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:	3.024	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	3.02	ACD/LogD (pH 7.4):	3.02
ACD/BCF (pH 5.5):	116.94	ACD/BCF (pH 7.4):	116.94
ACD/KOC (pH 5.5):	1051.62	ACD/KOC (pH 7.4):	1051.62
#H bond acceptors:	2	#H bond donors:	0
#Freely Rotating Bonds:	4	Polar Surface Area:	26.3 Å²
Index of Refraction:	1.516	Molar Refractivity:	47.01 cm³
Molar Volume:	155.4 cm³	Polarizability:	18.63 10^-24cm³
Surface Tension:	35.9 dyne/cm	Density:	1.043 g/cm³
Flash Point:	109.4 °C	Enthalpy of Vaporization:	47.97 kJ/mol
Boiling Point:	242.7 °C at 760 mmHg	Vapour Pressure:	0.0335 mmHg at 25°C

Click to predict properties on the Chemicalize site

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