IUPAC Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoyl chloride
Empirical Formula: C20H31ClO2
Molecular Weight: 338.9119
EINECS: 256-755-3
Structure of Butanoyl chloride,4-[2,4-bis(1,1-dimethylpropyl)phenoxy]- (CAS NO.50772-29-7):
Index of Refraction: 1.49
Molar Refractivity: 97.74 cm3
Molar Volume: 337.8 cm3
Polarizability: 38.75×10-24cm3
Surface Tension: 31.8 dyne/cm
Density: 1.003 g/cm3
Flash Point: 152.3 °C
Enthalpy of Vaporization: 67.09 kJ/mol
Boiling Point: 417.5 °C at 760 mmHg
Vapour Pressure: 3.53E-07 mmHg at 25°C
Synonyms of Butanoyl chloride,4-[2,4-bis(1,1-dimethylpropyl)phenoxy]- (CAS NO.50772-29-7): 4-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyryl chloride
Canonical SMILES: CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)Cl)C(C)(C)CC
InChI: InChI=1S/C20H31ClO2/c1-7-19(3,4)15-11-12-17(23-13-9-10-18(21)22)16(14-15)20(5,6)8-2/h11-12,14H,7-10,13H2,1-6H3
InChIKey: WBQWCMNVBGTAAM-UHFFFAOYSA-N
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