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4-Hydroxybenzoic acid hexadecyl ester

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Name

4-Hydroxybenzoic acid hexadecyl ester

EINECS N/A
CAS No. 71067-09-9 Density 0.971 g/cm3
PSA 46.53000 LogP 7.03030
Solubility 378.9mg/L(25 oC) Melting Point 52.5-53.0 °C
Formula C23H38O3 Boiling Point 476 °C at 760 mmHg
Molecular Weight 362.553 Flash Point 179.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 71067-09-9 (4-Hydroxybenzoic acid hexadecyl ester) Hazard Symbols N/A
Synonyms

hexadecyl 4-hydroxybenzoate;

Article Data 2

4-Hydroxybenzoic acid hexadecyl ester Specification

The 4-Hydroxybenzoic acid hexadecyl ester, with cas registry number 71067-09-9, has the systematic name of hexadecyl 4-hydroxybenzoate. And its IUPAC name is the same one. And the chemical formula of this chemical is C23H38O3.

Physical properties about this chemical are: (1)ACD/LogP: 9.84; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 18; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.497; (8)Molar Refractivity: 109.4 cm3; (9)Molar Volume: 373.3 cm3; (10)Polarizability: 43.36×10-24cm3; (11)Surface Tension: 37.4 dyne/cm; (12)Enthalpy of Vaporization: 76.79 kJ/mol; (13)Vapour Pressure: 1.1E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCCCCCCCCCC)c1ccc(O)cc1
(2)InChI: InChI=1/C23H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26-23(25)21-16-18-22(24)19-17-21/h16-19,24H,2-15,20H2,1H3
(3)InChIKey: SJNCMISSTSMUFF-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C23H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26-23(25)21-16-18-22(24)19-17-21/h16-19,24H,2-15,20H2,1H3
(5)Std. InChIKey: SJNCMISSTSMUFF-UHFFFAOYSA-N

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