2-Tetrahydrofuranyl 5-norbornen-2-carboxylate

Details:

 1. Introduction of 2-Tetrahydrofuranyl 5-norbornen-2-carboxylate

 

The 2-Tetrahydrofuranyl 5-norbornen-2-carboxylate, with its CAS NO 230297-45-7. It has synonyms of 2-Tetrahydrofuranyloxycarbonyl 5-norbornene;tetrahydrofuran-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, tetrahydro-2-furanyl ester;5-Norbornene-2-Carboxylic Acid 2-Tetrahydrofurfuryl Ester and oxolan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate.

 

2. Properties of 2-Tetrahydrofuranyl 5-norbornen-2-carboxylate

 

(1) ACD/LogP: 2.894  (2) ACD/LogD (pH 5.5): 2.89  (3) ACD/LogD (pH 7.4): 2.89 
(4) ACD/BCF (pH 5.5): 93.24  (5) ACD/BCF (pH 7.4): 93.24 
(6) ACD/KOC (pH 5.5): 894.25  (7) ACD/KOC (pH 7.4): 894.25 
(8) #H bond acceptors: 3  (9) #Freely Rotating Bonds: 3  (10) Polar Surface Area: 35.53 ?2 
(11) Index of Refraction: 1.536  (12) Molar Refractivity: 54.9 cm3 
(13) Molar Volume: 175.922 cm3  (14) Polarizability: 21.764 10-24cm3 
(15) Surface Tension: 41.8530006408691 dyne/cm  (16) Density: 1.184 g/cm3 
(17) Flash Point: 121.131 °C   (18) Enthalpy of Vaporization: 53.831 kJ/mol 
(19) Boiling Point: 298.392 °C at 760 mmHg   (20) Vapour Pressure: 0.00100000004749745 mmHg at 25°C

 

3. Structure descriptors of 2-Tetrahydrofuranyl 5-norbornen-2-carboxylate

 

SMILES:O=C(OC1CCCO1)C3CC2/C=C\C3C2

Std. InChI:InChI=1S/C12H16O3/c13-12(15-11-2-1-5-14-11)10-7-8-3-4-9(10)6-8/h3-4,8-11H,1-2,5-7H2

Std. InChIKey:RVVWLPDCSZPLER-UHFFFAOYSA-N