Chemical Properties of Dimethyl bicyclo[2.2.1]-2,5-heptadiene-2,3-dicarboxylate (CAS 947-57-9)

Dimethyl bicyclo[2.2.1]-2,5-heptadiene-2,3-dicarboxylate

InChI
InChI=1S/C11H12O4/c1-14-10(12)8-6-3-4-7(5-6)9(8)11(13)15-2/h3-4,6-7H,5H2,1-2H3
InChI Key
WFKWXJMEUOLYOS-UHFFFAOYSA-N
Formula
C11H12O4
SMILES
COC(=O)C1=C(C(=O)OC)C2C=CC1C2
Molecular Weight1
208.21
CAS
947-57-9
Other Names
  • Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid, dimethyl ester
  • Dimethyl ester of 2,5-norbornadien-2,3-dicarboxylic acid
  • 2,5-Norbornadiene-2,3-dicarboxylic acid, dimethyl ester
  • Dimethyl bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
  • 2,3-Bis(methoxycarbonyl)norbornadiene
  • Dimethyl 2,5-norbornadiene-2,3-dicarboxylate
  • Dimethyl norbornadiene-2,3-dicarboxylate
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Physical Properties

Property Value Unit Source
ΔfH°gas -515.36 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 28.82 kJ/mol Joback Calculated Property
IE 8.92 eV Relay (1.0) Calculated Property
log10WS -2.49 Relay (1.0) Calculated Property
logPoct/wat 0.835 Crippen Calculated Property
McVol 150.410 ml/mol McGowan Calculated Property
Tfus 358.05 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [385.54; 454.75] J/mol×K [593.75; 803.31] Show Hide
Cp,gas 385.54 J/mol×K 593.75 Joback Calculated Property
Cp,gas 399.21 J/mol×K 628.68 Joback Calculated Property
Cp,gas 411.99 J/mol×K 663.60 Joback Calculated Property
Cp,gas 423.89 J/mol×K 698.53 Joback Calculated Property
Cp,gas 434.97 J/mol×K 733.45 Joback Calculated Property
Cp,gas 445.24 J/mol×K 768.38 Joback Calculated Property
Cp,gas 454.75 J/mol×K 803.31 Joback Calculated Property
η [0.0006095; 0.0018855] Pa×s [357.31; 593.75] Show Hide
η 0.0018855 Pa×s 357.31 Joback Calculated Property
η 0.0014226 Pa×s 396.72 Joback Calculated Property
η 0.0011294 Pa×s 436.12 Joback Calculated Property
η 0.0009316 Pa×s 475.53 Joback Calculated Property
η 0.0007915 Pa×s 514.94 Joback Calculated Property
η 0.0006881 Pa×s 554.34 Joback Calculated Property
η 0.0006095 Pa×s 593.75 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 419.00 ± 1.00 K 2.70 NIST

Similar Compounds

Bicyclo[2.2.1]-2,5-heptadiene-2,3-dicarboxylic acid. Methyl trans-2,3,3a,7a-tetrahydro-1H-indene-4-carboxylate. Methyl cis-2,3,3a,7a-tetrahydro-1H-indene-4-carboxylate. Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-4-oxo-3-(2-pentenyl)-2-cyclopenten-1-yl ester, [1R-[1«alpha»[S*(Z)],3«beta»(E)]]-. GA20-13-O-glucoside, permethyl. GA20-13-O-glucoside, permethylated. Ouabain. GA1-13-O-«beta»-D-glucopyranoside, permethyl. 3-epi-GA1-13-O-glucoside, permethylated. GA8-13-O-glucoside, permethylated. 3-epiGA1-13-O-«beta»-D-glucopyranoside, permethyl. GA1, 13-O-glucoside, permethylated. Digoxin (L1=41,8mg/mL, L2=68,2mg/mL, Z=40,1mg/mL). Digitoxin. 3-Acetoxyamorpha-4,7(11)-dien-8-one.

Find more compounds similar to Dimethyl bicyclo[2.2.1]-2,5-heptadiene-2,3-dicarboxylate.

Sources

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