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CAS No.: | 255062-85-2 |
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Name: | Methyl 2-(octyloxy)benzoate |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C16H24O3 |
Molecular Weight: | 264.365 |
Synonyms: | methyl 2-octyloxybenzoate; 2-octoxybenzoic acid methyl ester; 2-octyloxybenzoic acid methyl ester; |
EINECS: | 1806241-263-5 |
Density: | 0.99g/cm3 |
Boiling Point: | 356.4 °C at 760 mmHg |
Flash Point: | 148.5 °C |
PSA: | 35.53000 |
LogP: | 4.21250 |
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The Methyl 2-(octyloxy)benzoate, with CAS registry number 255062-85-2, has the systematic name of methyl 2-(octyloxy)benzoate. Its molecular weight is 264.36. And the chemical formula of this chemical is C16H24O3.
Physical properties of Methyl 2-(octyloxy)benzoate: (1)ACD/LogP: 5.76; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.76; (4)ACD/LogD (pH 7.4): 5.76; (5)ACD/BCF (pH 5.5): 14066.43; (6)ACD/BCF (pH 7.4): 14066.43; (7)ACD/KOC (pH 5.5): 32423.33; (8)ACD/KOC (pH 7.4): 32423.33; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 77.13 cm3; (15)Molar Volume: 266.8 cm3; (16)Polarizability: 30.57×10-24cm3; (17)Surface Tension: 34.6 dyne/cm; (18)Density: 0.99 g/cm3; (19)Flash Point: 148.5 °C; (20)Enthalpy of Vaporization: 60.16 kJ/mol; (21)Boiling Point: 356.4 °C at 760 mmHg; (22)Vapour Pressure: 2.93E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccccc1OCCCCCCCC
(2)InChI: InChI=1/C16H24O3/c1-3-4-5-6-7-10-13-19-15-12-9-8-11-14(15)16(17)18-2/h8-9,11-12H,3-7,10,13H2,1-2H3
(3)InChIKey: PRDWTSMKTQTWLF-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C16H24O3/c1-3-4-5-6-7-10-13-19-15-12-9-8-11-14(15)16(17)18-2/h8-9,11-12H,3-7,10,13H2,1-2H3
(5)Std. InChIKey: PRDWTSMKTQTWLF-UHFFFAOYSA-N