Chemical Properties of 1-Adamantanecarboxamide, N-(2,5-dimethoxyphenyl)-

InChI

InChI=1S/C19H25NO3/c1-22-15-3-4-17(23-2)16(8-15)20-18(21)19-9-12-5-13(10-19)7-14(6-12)11-19/h3-4,8,12-14H,5-7,9-11H2,1-2H3,(H,20,21)

InChI Key

XIILAZSITCVNCS-UHFFFAOYSA-N

Formula

C19H25NO3

SMILES

COc1ccc(OC)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c1

Molecular Weight¹

315.41

• 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	-509.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.38	kJ/mol	Joback Calculated Property
IE	7.85	eV	Relay (1.0) Calculated Property
logPoct/wat	3.859		Crippen Calculated Property
McVol	245.520	ml/mol	McGowan Calculated Property
Inp	[2688.00; 2688.00]
Inp	2688.00		NIST
Inp	2688.00		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	[813.31; 929.21]	J/mol×K	[839.90; 1073.19]
Cp,gas	813.31	J/mol×K	839.90	Joback Calculated Property
Cp,gas	833.19	J/mol×K	878.78	Joback Calculated Property
Cp,gas	852.55	J/mol×K	917.66	Joback Calculated Property
Cp,gas	871.62	J/mol×K	956.55	Joback Calculated Property
Cp,gas	890.60	J/mol×K	995.43	Joback Calculated Property
Cp,gas	909.73	J/mol×K	1034.31	Joback Calculated Property
Cp,gas	929.21	J/mol×K	1073.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Adamantanecarboxamide, N-(2,5-dimethoxyphenyl)-.

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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