1-Phenyldecane-1,3-dione supplier

Name
1-Phenyldecane-1,3-dione
EINECS 272-599-9
CAS No. 68892-13-7
Article Data6
CAS DataBase
Density 0.984 g/cm³
Solubility 387μg/L at 20℃
Melting Point
Formula C₁₆H₂₂O₂
Boiling Point 357.2 °C at 760 mmHg
Molecular Weight 246.349
Flash Point 134 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Phenyl-1,3-decanedione;Benzoyl(octanoyl)methane;
PSA 34.14000
LogP 4.18900

1-Phenyldecane-1,3-dione Specification

The 1-Phenyldecane-1,3-dione is an organic compound with the formula C₁₆H₂₂O₂. The systematic name of this chemical is 1-phenyldecane-1,3-dione. With the CAS registry number 68892-13-7, it is also named as 1,3-decanedione, 1-phenyl-.

Physical properties about 1-Phenyldecane-1,3-dione are: (1)ACD/LogP: 5.71; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.71; (4)ACD/LogD (pH 7.4): 5.69; (5)ACD/BCF (pH 5.5): 12798.29; (6)ACD/BCF (pH 7.4): 12219.94; (7)ACD/KOC (pH 5.5): 30297.96; (8)ACD/KOC (pH 7.4): 28928.8; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 34.14 Å²; (12)Index of Refraction: 1.498; (13)Molar Refractivity: 73.37 cm³; (14)Molar Volume: 250.1 cm³; (15)Polarizability: 29.08×10^-24cm³; (16)Surface Tension: 36.7 dyne/cm; (17)Density: 0.984 g/cm³; (18)Flash Point: 134 °C; (19)Enthalpy of Vaporization: 60.25 kJ/mol; (20)Boiling Point: 357.2 °C at 760 mmHg; (21)Vapour Pressure: 2.78E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)CC(=O)CCCCCCC
(2)InChI: InChI=1/C16H22O2/c1-2-3-4-5-9-12-15(17)13-16(18)14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3
(3)InChIKey: IFQULAPKPYIHBS-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C16H22O2/c1-2-3-4-5-9-12-15(17)13-16(18)14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3
(5)Std. InChIKey: IFQULAPKPYIHBS-UHFFFAOYSA-N

Product Name

1-Phenyldecane-1,3-dione

1-Phenyldecane-1,3-dione Specification

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