2-Butenoic acid, heptylester supplier

Name
HEPTYL-CROTONATE
EINECS 240-999-2
CAS No. 16930-99-7
Article Data2
CAS DataBase
Density 0.889 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₀O₂
Boiling Point 235.7 °C at 760 mmHg
Molecular Weight 184.279
Flash Point 106.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Crotonicacid, heptyl ester (8CI);ENT 21543;Heptyl crotonate;
PSA 26.30000
LogP 3.07610

2-Butenoic acid, heptylester 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

Product Name

HEPTYL-CROTONATE

2-Butenoic acid, heptylester Specification

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