-
Name
5-NORBORNENE-2-CARBOXYLIC 1'-METHYLCYCLOPENTYL ESTER
- EINECS
- CAS No. 369648-89-5
- Density 1.09 g/cm3
- Solubility
- Melting Point
- Formula C14H20O2
- Boiling Point 289.856 °C at 760 mmHg
- Molecular Weight 220.31
- Flash Point 121.443 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1-Methylcyclopentyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;5-Norbornene-2-carboxylic 1'-methylcyclopentyl ester;
- PSA 26.30000
- LogP 3.07450
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid 1-methyl-cyclopentyl ester Specification
The Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid 1-methyl-cyclopentyl ester with the CAS number 369648-89-5 is also called 5-Norbornene-2-carboxylic 1'-methylcyclopentyl ester. The systematic name is 1-methylcyclopentyl bicyclo[2.2.1]hept-5-ene-2-carboxylate. Its molecular formula is C14H20O2. The product category is Norbornene Derivatives.
The properties of the Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid 1-methyl-cyclopentyl ester are: (1)ACD/LogP: 4.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 433; (6)ACD/BCF (pH 7.4): 433; (7)ACD/KOC (pH 5.5): 2685; (8)ACD/KOC (pH 7.4): 2685; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 62.45 cm3; (15)Molar Volume: 202.192 cm3; (16)Polarizability: 24.757×10-24cm3; (17)Surface Tension: 39.093 dyne/cm; (18)Enthalpy of Vaporization: 52.919 kJ/mol; (19)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC3(OC(=O)C2CC1/C=C\C2C1)CCCC3
(2)InChI: InChI=1/C14H20O2/c1-14(6-2-3-7-14)16-13(15)12-9-10-4-5-11(12)8-10/h4-5,10-12H,2-3,6-9H2,1H3
(3)InChIKey: KRJJDXSTPKETCM-UHFFFAOYAZ
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View