-
Name
5-NORBORNENE-2-CARBOXYLIC-2-FURFURYL ESTER
- EINECS
- CAS No. 684282-41-5
- Density 1.281 g/cm3
- Solubility
- Melting Point
- Formula C13H14O3
- Boiling Point 359.5 °C at 760 mmHg
- Molecular Weight 218.24846
- Flash Point 171.2 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Bicyclo[2.2.1]hept-5-ene-2-carboxylicacid, furfuryl ester (5CI);5-Norbornene-2-carboxylic acid furfuryl ester;
- PSA 39.44000
- LogP 2.53500
5-Norbornene-2-carboxylic acid furfuryl ester Specification
The cas register number of 5-Norbornene-2-carboxylic acid furfuryl ester is 684282-41-5. It also can be called as Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid furan-2-ylmethyl ester and the Systematic name about this chemical is 5-(2-furylmethyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic acid. It belongs to the Norbornene Derivatives.
Physical properties about 5-Norbornene-2-carboxylic acid furfuryl ester are: (1)ACD/LogP: 2.59; (2)ACD/LogD (pH 5.5): 1.62; (3)ACD/BCF (pH 5.5): 5.87; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 65.41; (6)ACD/KOC (pH 7.4): 1.03; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 50.44Å2; (11)Index of Refraction: 1.589; (12)Molar Refractivity: 57.41 cm3; (13)Molar Volume: 170.2 cm3; (14)Polarizability: 22.76x10-24cm3; (15)Surface Tension: 54.4 dyne/cm; (16)Enthalpy of Vaporization: 63.85 kJ/mol; (17)Vapour Pressure: 8.53E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(oc1)CC2(CC3CC2C=C3)C(=O)O
(2)InChI: InChI=1/C13H14O3/c14-12(15)13(8-11-2-1-5-16-11)7-9-3-4-10(13)6-9/h1-5,9-10H,6-8H2,(H,14,15)
(3)InChIKey: UXWRUXNPZXHIIV-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C13H14O3/c14-12(15)13(8-11-2-1-5-16-11)7-9-3-4-10(13)6-9/h1-5,9-10H,6-8H2,(H,14,15)
(5)Std. InChIKey: UXWRUXNPZXHIIV-UHFFFAOYSA-N
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