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CAS No.: | 69646-14-6 |
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Name: | DIETHYL(2-HYDROXYPHENYL)PHOSPHONATE |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C10H15O4P |
Molecular Weight: | 230.2 |
Synonyms: | Phosphonicacid, (2-hydroxyphenyl)-, diethyl ester (9CI);Diethyl(2-hydroxyphenyl)phosphonate; |
Density: | 1.2 g/cm3 |
Boiling Point: | 322.2 °C at 760 mmHg |
Flash Point: | 148.6 °C |
PSA: | 65.57000 |
LogP: | 2.28360 |
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This chemical is called Phosphonic acid, P-(2-hydroxyphenyl)-, diethyl ester, and its systematic name is diethyl (2-hydroxyphenyl)phosphonate. With the molecular formula of C10H15O4P, its molecular weight is 230.20. The CAS registry number of this chemical is 69646-14-6.
Other characteristics of the Phosphonic acid, P-(2-hydroxyphenyl)-, diethyl ester can be summarised as followings: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.28; (4)ACD/LogD (pH 7.4): 1.21; (5)ACD/BCF (pH 5.5): 5.49; (6)ACD/BCF (pH 7.4): 4.77; (7)ACD/KOC (pH 5.5): 117.63; (8)ACD/KOC (pH 7.4): 102.3; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 54.57 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 57.02 cm3; (15)Molar Volume: 191.4 cm3; (16)Polarizability: 22.6×10-24cm3; (17)Surface Tension: 43.2 dyne/cm; (18)Density: 1.2 g/cm3; (19)Flash Point: 148.6 °C; (20)Enthalpy of Vaporization: 58.64 kJ/mol; (21)Boiling Point: 322.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000151 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=P(OCC)(OCC)c1ccccc1O
2.InChI: InChI=1/C10H15O4P/c1-3-13-15(12,14-4-2)10-8-6-5-7-9(10)11/h5-8,11H,3-4H2,1-2H3
3.InChIKey: PKXSKYLWORXHBP-UHFFFAOYAT