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2915-72-2

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Basic Information
CAS No.: 2915-72-2
Name: BENZOIC ACID DODECYL ESTER
Article Data: 37
Molecular Structure:
Molecular Structure of 2915-72-2 (BENZOIC ACID DODECYL ESTER)
Formula: C19H30O2
Molecular Weight: 290.446
Synonyms: Dodecylalcohol, benzoate;Dodecyl benzoate;Lauryl benzoate;n-Dodecyl benzoate;
EINECS: 220-837-7
Density: 0.94 g/cm3
Melting Point: 167℃
Boiling Point: 383.6 °C at 760 mmHg
Flash Point: 162 °C
PSA: 26.30000
LogP: 5.76430
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Specification

The Benzoic acid, dodecylester, with the CAS registry number 2915-72-2, is also known as Lauryl benzoate. Its EINECS registry number is 220-837-7. This chemical's molecular formula is C19H30O2 and molecular weight is 290.4403. Its IUPAC name is called dodecyl benzoate.

Physical properties of Benzoic acid, dodecylester: (1)ACD/LogP: 8.04; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.04; (4)ACD/LogD (pH 7.4): 8.04; (5)ACD/BCF (pH 5.5): 760338.88; (6)ACD/BCF (pH 7.4): 760338.88; (7)ACD/KOC (pH 5.5): 563890.75; (8)ACD/KOC (pH 7.4): 563890.75; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 13; (11)Index of Refraction: 1.487; (12)Molar Refractivity: 88.98 cm3; (13)Molar Volume: 308.9 cm3; (14)Surface Tension: 34.7 dyne/cm; (15)Density: 0.94 g/cm3; (16)Flash Point: 162 °C; (17)Enthalpy of Vaporization: 63.21 kJ/mol; (18)Boiling Point: 383.6 °C at 760 mmHg; (19)Vapour Pressure: 4.36E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCOC(=O)C1=CC=CC=C1
(2)InChI: InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-14-17-21-19(20)18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3
(3)InChIKey: DLAHAXOYRFRPFQ-UHFFFAOYSA-N