Propyl heptanoate supplier | CasNO.7778-87-2

Name
Propyl heptanoate
EINECS 231-917-6
CAS No. 7778-87-2
Article Data5
CAS DataBase
Density 0.874 g/cm³
Solubility soluble in most organic solvents; insoluble in water
Melting Point -64 °C(lit.)
Formula C₁₀H₂₀O₂
Boiling Point 206.8 °C at 760 mmHg
Molecular Weight 172.268
Flash Point 76.7 °C
Transport Information
Appearance Colorless liquid with grape fruity odor
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC 23045;Propyl heptanoate;heptanoic acid, propyl ester;
PSA 26.30000
LogP 2.91000

Propyl heptanoate Specification

The Heptanoic acid, propylester, with the CAS registry number 7778-87-2 and EINECS registry number 231-917-6, has the systematic name and IUPAC name of propyl heptanoate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₀H₂₀O₂.

The characteristics of Heptanoic acid, propylester are as followings: (1)ACD/LogP: 3.90; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.422; (8)Molar Refractivity: 50.15 cm³; (9)Molar Volume: 197 cm³; (10)Polarizability: 19.88×10^-24cm³; (11)Surface Tension: 28.3 dyne/cm; (12)Density: 0.874 g/cm³; (13)Flash Point: 76.7 °C; (14)Enthalpy of Vaporization: 44.3 kJ/mol; (15)Boiling Point: 206.8 °C at 760 mmHg; (16)Vapour Pressure: 0.233 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCCC)CCCCCC
(2)InChI: InChI=1/C10H20O2/c1-3-5-6-7-8-10(11)12-9-4-2/h3-9H2,1-2H3
(3)InChIKey: UWZVPQKWYFZLLW-UHFFFAOYAS

Product Name

Propyl heptanoate

Propyl heptanoate Specification

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