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93778-52-0

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Basic Information
CAS No.: 93778-52-0
Name: 2-decyltetradecanoic acid
Article Data: 2
Molecular Structure:
Molecular Structure of 93778-52-0 (2-decyltetradecanoic acid)
Formula: C24H48O2
Molecular Weight: 368.644
Synonyms: 2-Decyltetradecanoicacid;Isocarb 24;Jaric I 24;
EINECS: 298-190-5
Density: 0.878g/cm3
Boiling Point: 483.2 °C at 760 mmHg
Flash Point: 274.7 °C
Solubility: 12ng/L at 25℃
PSA: 37.30000
LogP: 8.52900
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Specification

The Tetradecanoic acid,2-decyl-, with CAS registry number 93778-52-0, has the systematic name of 2-decyltetradecanoic acid. Besides this, it is also called Tetradecanoic acid, 2-decyl-. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. And the chemical formula of this chemical is C24H48O2. What's more, its EINECS is 298-190-5.

Physical properties of Tetradecanoic acid,2-decyl-: (1)ACD/LogP: 11.22; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.44; (4)ACD/LogD (pH 7.4): 8.65; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 527554.25; (7)ACD/KOC (pH 5.5): 4998401; (8)ACD/KOC (pH 7.4): 80476.52; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 21; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 114.76 cm3; (15)Molar Volume: 419.6 cm3; (16)Polarizability: 45.49×10-24cm3; (17)Surface Tension: 33 dyne/cm; (18)Density: 0.878 g/cm3; (19)Flash Point: 274.7 °C; (20)Enthalpy of Vaporization: 81.95 kJ/mol; (21)Boiling Point: 483.2 °C at 760 mmHg; (22)Vapour Pressure: 1.16E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(CCCCCCCCCCCC)CCCCCCCCCC
(2)InChI: InChI=1/C24H48O2/c1-3-5-7-9-11-13-14-16-18-20-22-23(24(25)26)21-19-17-15-12-10-8-6-4-2/h23H,3-22H2,1-2H3,(H,25,26)
(3)InChIKey: OYXVDHZABMXCMX-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C24H48O2/c1-3-5-7-9-11-13-14-16-18-20-22-23(24(25)26)21-19-17-15-12-10-8-6-4-2/h23H,3-22H2,1-2H3,(H,25,26)
(5)Std. InChIKey: OYXVDHZABMXCMX-UHFFFAOYSA-N