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16930-99-7

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Basic Information
CAS No.: 16930-99-7
Name: HEPTYL-CROTONATE
Article Data: 2
Molecular Structure:
Molecular Structure of 16930-99-7 (HEPTYL-CROTONATE)
Formula: C11H20O2
Molecular Weight: 184.279
Synonyms: Crotonicacid, heptyl ester (8CI);ENT 21543;Heptyl crotonate;
EINECS: 240-999-2
Density: 0.889 g/cm3
Boiling Point: 235.7 °C at 760 mmHg
Flash Point: 106.1 °C
PSA: 26.30000
LogP: 3.07610
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Specification

The 2-Butenoic acid, heptylester is an organic compound with the formula C11H20O2. The IUPAC name of this chemical is Heptyl but-2-enoate. With the CAS registry number 16930-99-7, it is also named as Heptyl 2-butenoate. Besides, its molecular weight is 184.28.

Physical properties about 2-Butenoic acid, heptylester are: (1)ACD/LogP: 4.51; (2)ACD/LogD (pH 5.5): 4.5; (3)ACD/LogD (pH 7.4): 4.5; (4)ACD/BCF (pH 5.5): 1561.12; (5)ACD/BCF (pH 7.4): 1561.12; (6)ACD/KOC (pH 5.5): 6721.4; (7)ACD/KOC (pH 7.4): 6721.4; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.442; (12)Molar Refractivity: 54.84 cm3; (13)Molar Volume: 207.2 cm3; (14)Polarizability: 21.74×10-24 cm3; (15)Surface Tension: 29.2 dyne/cm; (16)Density: 0.889 g/cm3; (17)Flash Point: 106.1 °C; (18)Enthalpy of Vaporization: 47.24 kJ/mol; (19)Boiling Point: 235.7 °C at 760 mmHg; (20)Vapour Pressure: 0.0495 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H20O2/c1-3-5-6-7-8-10-13-11(12)9-4-2/h4,9H,3,5-8,10H2,1-2H3
(2)InChIKey: DOBPEHKISOHXTE-UHFFFAOYAW
(3)Std. InChI: InChI=1S/C11H20O2/c1-3-5-6-7-8-10-13-11(12)9-4-2/h4,9H,3,5-8,10H2,1-2H3
(4)Std. InChIKey: DOBPEHKISOHXTE-UHFFFAOYSA-N