Chemical Properties of 4-Carbomethoxyhomocubane (CAS 40317-63-3)

4-Carbomethoxyhomocubane

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InChI
InChI=1S/C11H12O2/c1-13-10(12)11-7-4-2-3-5(7)9(11)6(3)8(4)11/h3-9H,2H2,1H3
InChI Key
VZNFAXUDGDVVBT-UHFFFAOYSA-N
Formula
C11H12O2
SMILES
COC(=O)C12C3C4CC5C3C1C5C42
Molecular Weight1
176.21
CAS
40317-63-3
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Physical Properties

Property Value Unit Source
Δcliquid -5989.80 ± 5.00 kJ/mol NIST
Δf 155.55 kJ/mol Joback Calculated Property
Δfgas 26.00 ± 5.40 kJ/mol NIST
Δfliquid -54.00 ± 5.00 kJ/mol NIST
Δfus 27.22 kJ/mol Joback Calculated Property
Δvap 80.00 kJ/mol NIST
log10WS -0.83 Crippen Calculated Property
logPoct/wat 0.917 Crippen Calculated Property
McVol 118.990 ml/mol McGowan Calculated Property
Pc 3149.09 kPa Joback Calculated Property
Tboil 521.68 K Joback Calculated Property
Tc 726.36 K Joback Calculated Property
Tfus 407.89 K Joback Calculated Property
Vc 0.503 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [345.11; 419.22] J/mol×K [521.68; 726.36] Show Hide
Cp,gas 345.11 J/mol×K 521.68 Joback Calculated Property
Cp,gas 360.29 J/mol×K 555.79 Joback Calculated Property
Cp,gas 374.04 J/mol×K 589.91 Joback Calculated Property
Cp,gas 386.58 J/mol×K 624.02 Joback Calculated Property
Cp,gas 398.14 J/mol×K 658.13 Joback Calculated Property
Cp,gas 408.95 J/mol×K 692.25 Joback Calculated Property
Cp,gas 419.22 J/mol×K 726.36 Joback Calculated Property
Cp,liquid 288.00 J/mol×K 298.00 NIST
ΔvapH [79.96; 80.00] kJ/mol [303.00; 323.00] Show Hide
ΔvapH 80.00 ± 2.00 kJ/mol 303.00 NIST
ΔvapH 79.96 kJ/mol 323.00 NIST
ΔvapH 80.00 ± 1.70 kJ/mol 323.00 NIST

Similar Compounds

Cubane-1,4-dicarboylic acid dimethyl ester. endo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 2,7,7-trimethyl, methyl ester. exo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 2,7,7-trimethyl, methyl ester. Homocubane-4-carboxylic acid. endo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 2-methyl, methyl ester. exo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 2-methyl, methyl ester. 1,5-Dicarbomethoxy quadricyclane. Bicyclo[3.3.0]octane-1-carboxylic acid, methyl ester. exo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 7,7-cyclopropano-2-methyl, methyl ester. endo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 7,7-cyclopropano-2-methyl, methyl ester. 2-methyladamantane-1-carboxylic acid, methyl ester. Methyl 7-isopropyl-1,4a-dimethyltetradecahydrophenanthrene-1-carboxylate. 1-Phenanthrenecarboxylic acid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,7«beta»,8a«beta»,10a«alpha»)]-. Trachylobanic acid, methyl ester. cis-1-carbomethoxy-1,2-dimethylcyclohexane.

Find more compounds similar to 4-Carbomethoxyhomocubane.

Sources

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