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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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