Heptanoic acid, ion(1-) supplier

Name
heptanoate
EINECS 231-459-7
CAS No. 7563-37-3
Article Data5
CAS DataBase
Density
Solubility
Melting Point
Formula C₇H₁₃O₂
Boiling Point 222.6 °C at 760 mmHg
Molecular Weight 129.179
Flash Point 99.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Heptanoate;Oenanthate;n-Heptanoate;heptanoate;1-Hexanecarboxylate;2-Pentyl acetate;Enanthate;n-Heptoate;
PSA 40.13000
LogP 0.70670

Heptanoic acid, ion(1-) Specification

The Heptanoic acid, ion(1-), with the CAS registry number 7563-37-3 and EINECS registry number 231-459-7, has the systematic name of heptanoate. It is a kind of organics, and should be stored in the dry and cool environment. The molecular formula of the chemical is C₇H₁₃O₂.

The characteristics of Heptanoic acid, ion(1-) are as followings: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): -0.22; (5)ACD/BCF (pH 5.5): 5.99; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 74.54; (8)ACD/KOC (pH 7.4): 1.2; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 37.3 Å² ; (13)Flash Point: 99.2 °C; (14)Enthalpy of Vaporization: 48.52 kJ/mol; (15)Boiling Point: 222.6 °C at 760 mmHg; (16)Vapour Pressure: 0.0578 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-]C(=O)CCCCCC
(2)InChI: InChI=1/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/p-1
(3)InChIKey: MNWFXJYAOYHMED-REWHXWOFAJ

Product Name

heptanoate

Heptanoic acid, ion(1-) Specification

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