Chemical Properties of Homocubane-4-carboxylic acid

InChI

InChI=1S/C10H10O2/c11-9(12)10-6-3-1-2-4(6)8(10)5(2)7(3)10/h2-8H,1H2,(H,11,12)

InChI Key

MOOVPWJLDNIYBR-UHFFFAOYSA-N

Formula

C10H10O2

SMILES

O=C(O)C12C3C4CC5C3C1C5C42

Molecular Weight¹

162.19

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-5285.00 ± 4.00	kJ/mol	NIST
ΔfH°gas	3.00	kJ/mol	NIST
ΔfH°solid	-79.00 ± 4.00	kJ/mol	NIST
ΔfusH°	31.99	kJ/mol	Joback Calculated Property
ΔsubH°	[82.00; 82.00]	kJ/mol
ΔsubH°	82.00	kJ/mol	NIST
ΔsubH°	82.00	kJ/mol	NIST
ΔvapH°	95.25	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	0.829		Crippen Calculated Property
McVol	104.900	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[331.71; 393.18]	J/mol×K	[568.22; 784.28]
Cp,gas	331.71	J/mol×K	568.22	Joback Calculated Property
Cp,gas	344.11	J/mol×K	604.23	Joback Calculated Property
Cp,gas	355.27	J/mol×K	640.24	Joback Calculated Property
Cp,gas	365.47	J/mol×K	676.25	Joback Calculated Property
Cp,gas	374.99	J/mol×K	712.26	Joback Calculated Property
Cp,gas	384.13	J/mol×K	748.27	Joback Calculated Property
Cp,gas	393.18	J/mol×K	784.28	Joback Calculated Property
Cp,solid	207.00	J/mol×K	298.00	NIST

Similar Compounds

Find more compounds similar to Homocubane-4-carboxylic acid.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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