Basic information
- Name:
Hexanoic acid,2-(diethylamino)ethyl ester
- Superlist Name:
- 2-Diethylaminoethyl hexanoate
- CAS No.:
10369-83-2
- Molecular Structure:
- Formula:
- C12H25NO2
- Molecular Weight:
- 215.33
- Synonyms:
- 2-(Diethylamino)ethylcaproate;DA 6;HKL 4;
- Density:
- 0.907 g/cm3
- Boiling Point:
- 277.3 °C at 760 mmHg
- Flash Point:
- 87.5 °C
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Specification
The 2-Diethylaminoethyl hexanoate is an organic compound with the formula C12H25NO2. The IUPAC name of this chemical is hexanoic acid, 2-(diethylamino)ethyl ester. With the CAS registry number 10369-83-2, it is also named as 2-(Diethylamino)ethyl hexanoate.
Physical properties about 2-Diethylaminoethyl hexanoate are: (1)ACD/LogP: 3.52; (2)ACD/LogD (pH 5.5): 0.51; (3)ACD/LogD (pH 7.4): 1.69; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 4.11; (6)ACD/KOC (pH 5.5): 1.9; (7)ACD/KOC (pH 7.4): 28.89; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 10; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.444; (12)Molar Refractivity: 63.13 cm3; (13)Molar Volume: 237.3 cm3; (14)Polarizability: 25.03×10-24cm3; (15)Surface Tension: 30.9 dyne/cm; (16)Density: 0.907 g/cm3; (17)Flash Point: 87.5 °C; (18)Enthalpy of Vaporization: 51.59 kJ/mol; (19)Boiling Point: 277.3 °C at 760 mmHg; (20)Vapour Pressure: 0.00455 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCC(=O)OCCN(CC)CC
(2)InChI: InChI=1/C12H25NO2/c1-4-7-8-9-12(14)15-11-10-13(5-2)6-3/h4-11H2,1-3H3
(3)InChIKey: AEIJVYPRKAWFPN-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C12H25NO2/c1-4-7-8-9-12(14)15-11-10-13(5-2)6-3/h4-11H2,1-3H3
(5)Std. InChIKey: AEIJVYPRKAWFPN-UHFFFAOYSA-N
