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60160-17-0

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Basic Information
CAS No.: 60160-17-0
Name: N-CAPRIC ACID N-HEPTYL ESTER
Article Data: 4
Molecular Structure:
Molecular Structure of 60160-17-0 (N-CAPRIC ACID N-HEPTYL ESTER)
Formula: C17H34O2
Molecular Weight: 270.456
Synonyms: Capricacid, heptyl ester (4CI);Heptyl caprate;Heptyl decanoate;
EINECS: 262-089-4
Density: 0.865g/cm3
Boiling Point: 320.3 °C at 760 mmHg
Flash Point: 149.3 °C
PSA: 26.30000
LogP: 5.64070
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Specification

The heptyl decanoate, with CAS registry number 60160-17-0, has the systematic name of heptyl decanoate. Besides this, it is also called N-capric acid n-heptyl ester. And the chemical formula of this chemical is C17H34O2.

Physical properties of heptyl decanoate: (1)ACD/LogP: 7.62; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.62; (4)ACD/LogD (pH 7.4): 7.62; (5)ACD/BCF (pH 5.5): 361476.59; (6)ACD/BCF (pH 7.4): 361476.59; (7)ACD/KOC (pH 5.5): 331166.75; (8)ACD/KOC (pH 7.4): 331166.75; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 82.58 cm3; (15)Molar Volume: 312.6 cm3; (16)Polarizability: 32.73×10-24cm3; (17)Surface Tension: 30.2 dyne/cm; (18)Density: 0.865 g/cm3; (19)Flash Point: 149.3 °C; (20)Enthalpy of Vaporization: 56.19 kJ/mol; (21)Boiling Point: 320.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000321 mmHg at 25°C.

Preparation: this chemical can be prepared by heptan-2-ol and decanoic acid. This reaction will need reagent conc. H2SO4. The reaction time is 3 hour(s) with reaction temperature of 120 ℃. The yield is about 50%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCC)CCCCCCCCC
(2)InChI: InChI=1/C17H34O2/c1-3-5-7-9-10-11-13-15-17(18)19-16-14-12-8-6-4-2/h3-16H2,1-2H3
(3)InChIKey: MPLLSYWBBPPERF-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C17H34O2/c1-3-5-7-9-10-11-13-15-17(18)19-16-14-12-8-6-4-2/h3-16H2,1-2H3
(5)Std. InChIKey: MPLLSYWBBPPERF-UHFFFAOYSA-N