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CAS No.: | 2163-44-2 |
---|---|
Name: | Diethyl 2-cyclohexylpropanedioate |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C13H22O4 |
Molecular Weight: | 242.315 |
Synonyms: | NSC46843; |
Density: | 1.046 g/cm3 |
Melting Point: | 115-135 °C |
Boiling Point: | 297.2 °C at 760 mmHg |
Flash Point: | 137 °C |
PSA: | 52.60000 |
LogP: | 2.30910 |
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The CAS registry number of Diethyl 2-cyclohexylpropanedioate is 2163-44-2. This chemical is also named as NSC46843. In addition, its molecular formula is C13H22O4 and molecular weight is 242.3114. Its IUPAC name is called diethyl 2-cyclohexylpropanedioate.
Physical properties about Diethyl 2-cyclohexylpropanedioate are: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 7; (6)Index of Refraction: 1.461; (7)Molar Refractivity: 63.61 cm3; (8)Molar Volume: 231.5 cm3; (9)Surface Tension: 36.2 dyne/cm; (10)Density: 1.046 g/cm3; (11)Flash Point: 137 °C; (12)Enthalpy of Vaporization: 53.7 kJ/mol; (13)Boiling Point: 297.2 °C at 760 mmHg; (14)Vapour Pressure: 0.00137 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(C(=O)OCC)C1CCCCC1
(2)InChI: InChI=1/C13H22O4/c1-3-16-12(14)11(13(15)17-4-2)10-8-6-5-7-9-10/h10-11H,3-9H2,1-2H3
(3)InChIKey: FUOPELSDMOAUBM-UHFFFAOYAY