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| CAS No.: | 71067-09-9 |
|---|---|
| Name: | 4-Hydroxybenzoic acid hexadecyl ester |
| Molecular Structure: | |
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| 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