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2752-95-6

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Basic Information
CAS No.: 2752-95-6
Name: butyl diphenyl phosphate
Article Data: 22
Molecular Structure:
Molecular Structure of 2752-95-6 (butyl diphenyl phosphate)
Formula: C16H19O4P
Molecular Weight: 306.298
Synonyms: butyl diphenyl phosphate;Phosphoric acid, butyl diphenyl ester;phosphoric acid butyl ester diphenyl ester
EINECS: 220-398-1
Density: 1.169 g/cm3
Boiling Point: 368.4 °C at 760 mmHg
Flash Point: 190.2 °C
Solubility: <0.2g/L(25 oC)
PSA: 54.57000
LogP: 5.06920
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Specification

The Phosphoric acid, butyldiphenyl ester has CAS registry number 2752-95-6. Its EINECS number is 220-398-1. This chemical's molecular formula is C16H19O4P and molecular weight is 306.29. What's more, its IUPAC name is butyl diphenyl phosphate.

Physical properties of Phosphoric acid, butyldiphenyl ester are: (1)ACD/LogP: 4.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.69; (4)ACD/LogD (pH 7.4): 4.69; (5)ACD/BCF (pH 5.5): 2171.62; (6)ACD/BCF (pH 7.4): 2171.62; (7)ACD/KOC (pH 5.5): 8512.69; (8)ACD/KOC (pH 7.4): 8512.69; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 54.57 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 81.69 cm3; (15)Molar Volume: 261.8 cm3; (16)Polarizability: 32.38×10-24cm3; (17)Surface Tension: 42.1 dyne/cm; (18)Density: 1.169 g/cm3; (19)Flash Point: 190.2 °C; (20)Enthalpy of Vaporization: 59.09 kJ/mol; (21)Boiling Point: 368.4 °C at 760 mmHg; (22)Vapour Pressure: 2.7E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(OCCCC)(Oc1ccccc1)Oc2ccccc2
(2)Std. InChI: InChI=1S/C16H19O4P/c1-2-3-14-18-21(17,19-15-10-6-4-7-11-15)20-16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3
(3)Std. InChIKey: DIBUFQMCUZYQKN-UHFFFAOYSA-N