-
Name
Bicyclo[2.2.2]octane-1,4-dicarboxylic acid, Monoethyl ester
- EINECS
- CAS No. 834-50-4
- Article Data2
- CAS DataBase
- Density 1.265g/cm3
- Solubility
- Melting Point
- Formula C12H18O4
- Boiling Point 336.8 °C at 760 mmHg
- Molecular Weight 226.273
- Flash Point 125.2 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms bicyclo[2.2.2]octane-1,4-dicarboxylic acid, monoethyl ester;4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid;
- PSA 63.60000
- LogP 1.97470
1-ethoxycarbonylbicyclo[2.2.2]octane-4-carboxylic acid Chemical Properties
Molecular Structure of 1-ethoxycarbonylbicyclo[2.2.2]octane-4-carboxylic acid (CAS NO.834-50-4):
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IUPAC Name: 1-ethoxycarbonylbicyclo[2.2.2]octane-4-carboxylic acid
Empirical Formula: C12H18O4
Molecular Weight: 226.2689
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 52.6 Å2
Index of Refraction: 1.543
Molar Refractivity: 56.43 cm3
Molar Volume: 178.8 cm3
Surface Tension: 57.2 dyne/cm
Density: 1.265 g/cm3
Flash Point: 125.2 °C
Enthalpy of Vaporization: 63.74 kJ/mol
Boiling Point: 336.8 °C at 760 mmHg
Vapour Pressure: 2.06E-05 mmHg at 25°C
SMILES: O=C(OCC)C12CCC(C(=O)O)(CC1)CC2
InChI: InChI=1/C12H18O4/c1-2-16-10(15)12-6-3-11(4-7-12,5-8-12)9(13)14/h2-8H2,1H3,(H,13,14)
1-ethoxycarbonylbicyclo[2.2.2]octane-4-carboxylic acid Specification
1-ethoxycarbonylbicyclo[2.2.2]octane-4-carboxylic acid , with CAS number of 834-50-4, can be called 4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid ; bicyclo[2.2.2]octane-1,4-dicarboxylic acid, monoethyl ester .
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