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(4-Methyl-1-cyclohex-3-enyl) benzoate

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Name

(4-Methyl-1-cyclohex-3-enyl) benzoate

EINECS N/A
CAS No. 6308-91-4 Density 1.08 g/cm3
PSA 26.30000 LogP 3.34220
Solubility N/A Melting Point N/A
Formula C14H16O2 Boiling Point 307.7 °C at 760 mmHg
Molecular Weight 216.2756 Flash Point 138.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6308-91-4 ((4-Methyl-1-cyclohex-3-enyl) benzoate) Hazard Symbols N/A
Synonyms

(4-Methylcyclohex-3-en-1-yl) benzoate;

 

(4-Methyl-1-cyclohex-3-enyl) benzoate Specification

The (4-Methyl-1-cyclohex-3-enyl) benzoate has CAS registry number 6308-91-4. This chemical's molecular formula is C14H16O2 and molecular weight is 216.2756. What's more, its IUPAC name is (4-Methylcyclohex-3-en-1-yl) benzoate.

Physical properties about (4-Methyl-1-cyclohex-3-enyl) benzoate are: (1)ACD/LogP: 4.42; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.545; (8)Molar Refractivity: 63.26 cm3; (9)Molar Volume: 199.8 cm3; (10)Polarizability: 25.08×10-24 cm3; (11)Surface Tension: 39.8 dyne/cm; (12)Density: 1.08 g/cm3; (13)Flash Point: 138.8 °C; (14)Enthalpy of Vaporization: 54.83 kJ/mol; (15)Boiling Point: 307.7 °C at 760 mmHg; (16)Vapour Pressure: 0.000713 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC1C/C=C(\CC1)C)c2ccccc2
(2) InChI: InChI=1/C14H16O2/c1-11-7-9-13(10-8-11)16-14(15)12-5-3-2-4-6-12/h2-7,13H,8-10H2,1H3
(3) InChIKey: FJHFITFUGYVWLT-UHFFFAOYAK

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