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68002-90-4

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Basic Information
CAS No.: 68002-90-4
Name: Fatty acids, C10-16
Molecular Structure:
Molecular Structure of 68002-90-4 (Fatty acids, C10-16)
Formula: C13H26O2
Molecular Weight: 214.3443
Synonyms: C10-16fatty acids;C10-16-carboxylic acids;Carboxylic acids, C10-16;Medium-chainfatty acids, C10-16;
EINECS: 268-105-6
Density: 0.901 g/cm3
Boiling Point: 308.2 °C at 760 mmHg
Flash Point: 139.6 °C
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Specification

The CAS register number of Fatty acids, C10-16 is 68002-90-4. It also can be called as C10-16fatty acids and the systematic name about this chemical is tridecanoic acid. The molecular formula about this chemical is C13H26O2 and the molecular weight is 214.3443.

Physical properties about Fatty acids, C10-16 are: (1)ACD/LogP: 5.56; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.76; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 1585.04; (6)ACD/BCF (pH 7.4): 25.43; (7)ACD/KOC (pH 5.5): 4038.26; (8)ACD/KOC (pH 7.4): 64.8; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 63.84 cm3; (15)Molar Volume: 237.7 cm3; (16)Polarizability: 25.3x10-24cm3; (17)Surface Tension: 33.3 dyne/cm; (18)Density: 0.901 g/cm3; (19)Flash Point: 139.6 °C; (20)Enthalpy of Vaporization: 57.96 kJ/mol; (21)Boiling Point: 308.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000299 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCCCCCCCCC
(2)InChI: InChI=1/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
(3)InChIKey: SZHOJFHSIKHZHA-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
(5)Std. InChIKey: SZHOJFHSIKHZHA-UHFFFAOYSA-N