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CAS No.: | 2983-37-1 |
---|---|
Name: | ethyl 2-ethylhexanoate |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C10H20O2 |
Molecular Weight: | 172.268 |
Synonyms: | Ethyl2-ethylhexanoate;Ethyl a-ethylcaproate;Ethyl 2-ethylhexanoat; |
EINECS: | 221-043-3 |
Density: | 0.872 g/cm3 |
Melting Point: | -63.5°C (estimate) |
Boiling Point: | 195.7 °C at 760 mmHg |
Flash Point: | 71.4 °C |
Solubility: | 65mg/L at 20℃ |
PSA: | 26.30000 |
LogP: | 2.76590 |
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The Hexanoic acid,2-ethyl-, ethyl ester, with the CAS registry number 2983-37-1, is also known as Ethyl 2-ethylhexanoat. Its EINECS registry number is 221-043-3. This chemical's molecular formula is C10H20O2 and molecular weight is 172.2646. What's more, its systematic name is Ethyl 2-ethylhexanoate.
Physical properties about Hexanoic acid,2-ethyl-, ethyl ester are: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.71; (4)ACD/LogD (pH 7.4): 3.71; (5)ACD/BCF (pH 5.5): 390.38; (6)ACD/BCF (pH 7.4): 390.38; (7)ACD/KOC (pH 5.5): 2492.26; (8)ACD/KOC (pH 7.4): 2492.26; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.421; (14)Molar Refractivity: 50.11 cm3; (15)Molar Volume: 197.4 cm3; (16)Polarizability: 19.86×10-24 cm3; (17)Surface Tension: 27.4 dyne/cm; (18)Density: 0.872 g/cm3; (19)Flash Point: 71.4 °C; (20)Enthalpy of Vaporization: 43.19 kJ/mol; (21)Boiling Point: 195.7 °C at 760 mmHg; (22)Vapour Pressure: 0.413 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(CCCC)CC
(2)InChI: InChI=1/C10H20O2/c1-4-7-8-9(5-2)10(11)12-6-3/h9H,4-8H2,1-3H3
(3)InChIKey: YXAGIRHBJJLWHW-UHFFFAOYAZ