CAS No.4167-77-5,diethyl 1,1-cyclopentanedicarboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4167-77-5
Name:	diethyl 1,1-cyclopentanedicarboxylate
Article Data:	40

Formula:	C₁₁H₁₈O₄
Molecular Weight:	214.262
Synonyms:	1,1-Cyclopentanedicarboxylicacid, diethyl ester (6CI,7CI,8CI,9CI);1,1-Bis(ethoxycarbonyl)cyclopentane;Diethyl 1,1-cyclopentanedicarboxylate;NSC 67352;
EINECS:	224-024-8
Density:	1.096 g/cm³
Boiling Point:	246 °C at 760 mmHg
Flash Point:	110.4 °C
PSA:	52.60000
LogP:	1.67300

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Specification

The 1,1-Cyclopentanedicarboxylicacid, 1,1-diethyl ester, with the CAS registry number 4167-77-5, is also known as 1,1-Bis(ethoxycarbonyl)cyclopentane. Its EINECS number is 224-024-8. This chemical's molecular formula is C₁₁H₁₈O₄ and molecular weight is 214.25822. Its IUPAC name is called diethyl cyclopentane-1,1-dicarboxylate.

Physical properties of 1,1-Cyclopentanedicarboxylicacid, 1,1-diethyl ester: (1)ACD/LogP: 2.31; (2)ACD/LogD (pH 5.5): 2.31; (3)ACD/LogD (pH 7.4): 2.31; (4)ACD/BCF (pH 5.5): 33.68; (5)ACD/BCF (pH 7.4): 33.68; (6)ACD/KOC (pH 5.5): 431.39; (7)ACD/KOC (pH 7.4): 431.39; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.466; (11)Molar Refractivity: 54.13 cm³; (12)Molar Volume: 195.3 cm³; (13)Surface Tension: 39 dyne/cm; (14)Density: 1.096 g/cm³; (15)Flash Point: 110.4 °C; (16)Enthalpy of Vaporization: 48.31 kJ/mol; (17)Boiling Point: 246 °C at 760 mmHg; (18)Vapour Pressure: 0.0278 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1(CCCC1)C(=O)OCC
(2)InChI: InChI=1S/C11H18O4/c1-3-14-9(12)11(7-5-6-8-11)10(13)15-4-2/h3-8H2,1-2H3
(3)InChIKey: NAKRHRXBVSLQAO-UHFFFAOYSA-N