Chemical Properties of 5,7-dimethyladamantane-1,3-dicarboxylic acid, dimethyl ester

InChI

InChI=1S/C16H24O4/c1-13-5-14(2)8-15(6-13,11(17)19-3)10-16(7-13,9-14)12(18)20-4/h5-10H2,1-4H3/t13-,14+,15+,16-

InChI Key

VFSOMLCPYKZNBM-SYMSYNOKSA-N

Formula

C16H24O4

SMILES

COC(=O)C12CC3(C)CC(C)(C1)CC(C(=O)OC)(C3)C2

Molecular Weight¹

280.36

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-854.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.12	kJ/mol	Joback Calculated Property
IE	9.28	eV	Relay (1.0) Calculated Property
logPoct/wat	2.699		Crippen Calculated Property
McVol	218.600	ml/mol	McGowan Calculated Property
Inp	[1769.00; 1795.00]
Inp	1769.00		NIST
Inp	1777.00		NIST
Inp	1784.00		NIST
Inp	1795.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[663.28; 789.86]	J/mol×K	[702.90; 933.78]
Cp,gas	663.28	J/mol×K	702.90	Joback Calculated Property
Cp,gas	682.80	J/mol×K	741.38	Joback Calculated Property
Cp,gas	702.27	J/mol×K	779.86	Joback Calculated Property
Cp,gas	722.20	J/mol×K	818.34	Joback Calculated Property
Cp,gas	743.10	J/mol×K	856.82	Joback Calculated Property
Cp,gas	765.48	J/mol×K	895.30	Joback Calculated Property
Cp,gas	789.86	J/mol×K	933.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5,7-dimethyladamantane-1,3-dicarboxylic acid, dimethyl ester.

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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