Methyl 5-norbornene-2-carboxylate

Details:

 1. Introduction of Methyl 5-norbornene-2-carboxylate

 

The Methyl 5-norbornene-2-carboxylate, with its CAS NO 6203-08-3, is a kind of white or light yellow liquid. It has synonyms of 5-Norbornene-2-carboxylicacid, methyl ester (6CI,7CI,8CI);2-Carbomethoxy-5-norbornene;2-Methoxycarbonyl-5-norbornene;5-(Methoxycarbonyl)bicyclo[2.2.1]hept-2-ene;5-Carbomethoxy-2-norbornene;Methyl 2-norbornene-5-carboxylate;Methyl5-norbornene-2-carboxylate and NSC 69065. Methyl 5-norbornene-2-carboxylate
should be stored in shady and cool warehouse.
 

 

2. Properties of Methyl 5-norbornene-2-carboxylate

 

(1) ACD/LogP: 3.024   (2) ACD/LogD (pH 5.5): 3.02   (3) ACD/LogD (pH 7.4): 3.02
(4) ACD/BCF (pH 5.5): 117.09   (5) ACD/BCF (pH 7.4): 117.09
(6) ACD/KOC (pH 5.5): 1052.59  (7) ACD/KOC (pH 7.4): 1052.59
(8) #H bond acceptors: 2   (9) #Freely Rotating Bonds: 2   (10) Polar Surface Area: 26.3 ?2
(11) Index of Refraction: 1.513   (12) Molar Refractivity: 40.889 cm3
(13) Molar Volume: 136.118 cm3   (14) Polarizability: 16.21 10-24cm3
(15) Surface Tension: 38.2050018310547 dyne/cm   (16) Density: 1.118 g/cm3
(17) Flash Point: 62.533 °C   (18) Enthalpy of Vaporization: 43.197 kJ/mol
(19) Boiling Point: 195.769 °C at 760 mmHg   (20) Vapour Pressure: 0.412000000476837 mmHg at 25°C

 

3. Structure descriptors of Methyl 5-norbornene-2-carboxylate

 

IUPAC Name: methyl bicyclo[2.2.1]hept-2-ene-5-carboxylate

InChI: InChI=1S/C9H12O2/c1-11-9(10)8-5-6-2-3-7(8)4-6/h2-3,6-8H,4-5H2,1H3

InChIKey: RMAZRAQKPTXZNL-UHFFFAOYSA-N

Canonical SMILES : COC(=O)C1CC2CC1C=C2