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

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

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[345.11; 419.22]	J/mol×K	[521.68; 726.36]
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]
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

Find more compounds similar to 4-Carbomethoxyhomocubane.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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