IUPAC Name: Ethyl 2-(3-tert-butyl-4-hydroxyphenoxy)tetradecanoate
Synonyms of : Ethyl 2-(m-tert-butyl-p-hydroxyphenoxy)tetradecanoate
CAS NO: 31994-60-2
Molecular Formula: C26H44O4
Molecular Weight: 420.62
Molecular Structure:
EINECS: 250-887-5
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 18
Polar Surface Area: 44.76 Å2
Index of Refraction: 1.49
Molar Refractivity: 124.42 cm3
Molar Volume: 430 cm3
Surface Tension: 34.9 dyne/cm
Density: 0.978 g/cm3
Flash Point: 156.7 °C
Enthalpy of Vaporization: 81.06 kJ/mol
Boiling Point: 510.4 °C at 760 mmHg
Vapour Pressure: 4.88E-11 mmHg at 25°C
SMILES: O=C(OCC)C(Oc1ccc(O)c(c1)C(C)(C)C)CCCCCCCCCCCC
InChI: InChI=1/C26H44O4/c1-6-8-9-10-11-12-13-14-15-16-17-24(25(28)29-7-2)30-21-18-19-23(27)22(20-21)26(3,4)5/h18-20,24,27H,6-17H2,1-5H3
InChIKey: USQBFMHVASTQGU-UHFFFAOYAQ
Std. InChI: InChI=1S/C26H44O4/c1-6-8-9-10-11-12-13-14-15-16-17-24(25(28)29-7-2)30-21-18-19-23(27)22(20-21)26(3,4)5/h18-20,24,27H,6-17H2,1-5H3
Std. InChIKey: USQBFMHVASTQGU-UHFFFAOYSA-N
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