Heptyl nonan-1-oate supplier | CasNO.71605-85-1

Name
heptyl nonan-1-oate
EINECS 275-665-5
CAS No. 71605-85-1
Density 0.865 g/cm³
Solubility
Melting Point -15.5°C
Formula C₁₆H₃₂O₂
Boiling Point 305.5 °C at 760 mmHg
Molecular Weight 256.429
Flash Point 139.8 °C
Transport Information
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Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pelargonicacid, heptyl ester (3CI);
PSA 26.30000
LogP 5.25060

Heptyl nonan-1-oate Specification

This chemical is called Heptyl nonan-1-oate, and it can also be named as Nonanoic acid, heptyl ester. With the molecular formula of C₁₆H₃₂O₂, its molecular weight is 256.42. The CAS registry number of this chemical is 71605-85-1.

Other characteristics of the Heptyl nonan-1-oate can be summarised as followings: (1)ACD/LogP: 7.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.08; (4)ACD/LogD (pH 7.4): 7.08; (5)ACD/BCF (pH 5.5): 142644.31; (6)ACD/BCF (pH 7.4): 142644.31; (7)ACD/KOC (pH 5.5): 170212.84; (8)ACD/KOC (pH 7.4): 170212.84; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.439; (14)Molar Refractivity: 77.94 cm³; (15)Molar Volume: 296.1 cm³; (16)Polarizability: 30.9×10^-24cm³; (17)Surface Tension: 30 dyne/cm; (18)Density: 0.865 g/cm³; (19)Flash Point: 139.8 °C; (20)Enthalpy of Vaporization: 54.6 kJ/mol; (21)Boiling Point: 305.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000817 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCCCCCCC)CCCCCCCC
2.InChI: InChI=1/C16H32O2/c1-3-5-7-9-10-12-14-16(17)18-15-13-11-8-6-4-2/h3-15H2,1-2H3
3.InChIKey: ARSLOAKOWGOSEX-UHFFFAOYAE

Product Name

heptyl nonan-1-oate

Heptyl nonan-1-oate Specification

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