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71067-09-9

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Basic Information
CAS No.: 71067-09-9
Name: 4-Hydroxybenzoic acid hexadecyl ester
Article Data: 2
Molecular Structure:
Molecular Structure of 71067-09-9 (4-Hydroxybenzoic acid hexadecyl ester)
Formula: C23H38O3
Molecular Weight: 362.553
Synonyms: hexadecyl 4-hydroxybenzoate;
Density: 0.971 g/cm3
Melting Point: 52.5-53.0 °C
Boiling Point: 476 °C at 760 mmHg
Flash Point: 179.9 °C
Solubility: 378.9mg/L(25 oC)
PSA: 46.53000
LogP: 7.03030
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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