Chemical Properties of Octanamide, N-(2,5-dimethoxyphenyl)-

InChI

InChI=1S/C16H25NO3/c1-4-5-6-7-8-9-16(18)17-14-12-13(19-2)10-11-15(14)20-3/h10-12H,4-9H2,1-3H3,(H,17,18)

InChI Key

VRBOQYRNOHMGJE-UHFFFAOYSA-N

Formula

C16H25NO3

SMILES

CCCCCCCC(=O)Nc1cc(OC)ccc1OC

Molecular Weight¹

279.37

• 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).
• 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	-541.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.53	kJ/mol	Joback Calculated Property
logPoct/wat	4.003		Crippen Calculated Property
McVol	235.830	ml/mol	McGowan Calculated Property
Inp	[2274.00; 2274.00]
Inp	2274.00		NIST
Inp	2274.00		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, 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	[686.05; 767.40]	J/mol×K	[751.20; 948.75]
Cp,gas	686.05	J/mol×K	751.20	Joback Calculated Property
Cp,gas	701.97	J/mol×K	784.12	Joback Calculated Property
Cp,gas	716.93	J/mol×K	817.05	Joback Calculated Property
Cp,gas	730.94	J/mol×K	849.97	Joback Calculated Property
Cp,gas	744.02	J/mol×K	882.90	Joback Calculated Property
Cp,gas	756.17	J/mol×K	915.82	Joback Calculated Property
Cp,gas	767.40	J/mol×K	948.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to Octanamide, 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.
These property values are available through the Cheméo API. A free account gives you an access key.