Tetradecyl nicotinate

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0 Metric Ton	Negotiable

0 Metric Ton

Negotiable

Min.Order :0 Metric Ton
Purity: 98%

Keywords

273203-62-6 Tetradecyl nicotinate

Quick Details

Appearance:White crystalline powder
Application:intermediate
PackAge:25KG/drum
ProductionCapacity:||Day
Storage:storage in shady and cool warehouse
Transportation:transport as the regulation of chemicals

Superiority:

1.Properties of Tetradecyl nicotinate

(1)ACD/LogP: 7.79 (2)# of Rule of 5 Violations: 1
(3)ACD/LogD (pH 5.5): 7.79 (4)ACD/Log

Details:

1.Properties of Tetradecyl nicotinate

(1)ACD/LogP: 7.79 (2)# of Rule of 5 Violations: 1
(3)ACD/LogD (pH 5.5): 7.79 (4)ACD/LogD (pH 7.4): 7.79
(5)ACD/BCF (pH 5.5): 487412.00 (6)ACD/BCF (pH 7.4): 489773.00
(7)ACD/KOC (pH 5.5): 409603.70 (8)ACD/KOC (pH 7.4): 411587.70
(9)#H bond acceptors: 3 (10)#H bond donors: 0
(11)#Freely Rotating Bonds: 15 (12)Polar Surface Area: 39.19 ?2
(13)Index of Refraction: 1.487 (14)Molar Refractivity: 96.345 cm3
(15)Molar Volume: 335.138 cm3 (16)Polarizability: 38.194 10-24cm3
(17)Surface Tension: 36.4500007629395 dyne/cm (18)Density: 0.953 g/cm3
(19)Flash Point: 202.809 °C (20)Enthalpy of Vaporization: 66.425 kJ/mol
(21)Boiling Point: 411.733 °C at 760 mmHg (22)Vapour Pressure: 0 mmHg at 25°C

2.Structure descriptor of Tetradecyl nicotinate

SMILES:

O=C(OCCCCCCCCCCCCCC)c1cccnc1

Std. InChI:

InChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-20(22)19-15-14-16-21-18-19/h14-16,18H,2-13,17H2,1H3

Std. InChIKey:

TVGLGJWCZSCAEM-UHFFFAOYSA-N

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