5-Norbornene-2-carboxylic acid

Details:

 1. Introduction of 5-Norbornene-2-carboxylic acid

 

The 5-Norbornene-2-carboxylic acid, with its CAS NO 120-74-1, is a kind of Yellowish liquid. It has synonyms of Norbornenecarboxylic acid (6CI) and 2-Norbornene-5-carboxylicacid and Bicyclo[2.2.1]hept-2-ene-5-carboxylic acid. 5-Norbornene-2-carboxylic acid  should be stored in shady and cool warehouse.

 

2. Properties of 5-Norbornene-2-carboxylic acid

 

(1) ACD/LogP: 1.414   (2) ACD/LogD (pH 5.5): 0.49   (3) ACD/LogD (pH 7.4): -1.32
(4) ACD/BCF (pH 5.5): 1.00   (5) ACD/BCF (pH 7.4): 1.00
(6) ACD/KOC (pH 5.5): 16.53  (7) ACD/KOC (pH 7.4): 1.00
(8) #H bond acceptors: 2   (9) #H bond donors: 1
(10) #Freely Rotating Bonds: 1   (11) Polar Surface Area: 37.3 ?2
(12) Index of Refraction: 1.564   (13) Molar Refractivity: 36.046 cm3
(14) Molar Volume: 110.755 cm3   (15) Polarizability: 14.29 10-24cm3
(16) Surface Tension: 50.3409996032715 dyne/cm  (17) Density: 1.247 g/cm3
(18) Flash Point: 120.763 °C   (19) Enthalpy of Vaporization: 55.549 kJ/mol
(20) Boiling Point: 266.653 °C at 760 mmHg   (21) Vapour Pressure: 0.0020000000949949 mmHg at 25°C
 

 

3. Structure descriptors of 5-Norbornene-2-carboxylic acid

 

SMILES:O=C(O)C1CC2/C=C\C1C2 

Std. InChI:InChI=1S/C8H10O2/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H,9,10)

Std. InChIKey:FYGUSUBEMUKACF-UHFFFAOYSA-N