Chemical Properties of Octanoic acid, morpholide (CAS 5338-65-8)

InChI

InChI=1S/C12H23NO2/c1-2-3-4-5-6-7-12(14)13-8-10-15-11-9-13/h2-11H2,1H3

InChI Key

UFRIDVIGOZTLPL-UHFFFAOYSA-N

Formula

C12H23NO2

SMILES

CCCCCCCC(=O)N1CCOCC1

Molecular Weight¹

213.32

CAS

5338-65-8

Other Names

• 1-Octanone, 1-(4-morpholinyl)-
• 4-octanoylmorpholine

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-476.64	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	77.02	kJ/mol	Relay (1.0) Calculated Property
IE	9.05	eV	Relay (1.0) Calculated Property
log10WS	-1.51		Relay (1.0) Calculated Property
logPoct/wat	2.206		Crippen Calculated Property
McVol	186.500	ml/mol	McGowan Calculated Property
Pc	1961.38	kPa	Relay (1.0-beta) Calculated Property
Inp	[1725.00; 1725.00]
Inp	1725.00		NIST
Inp	1725.00		NIST
Tboil	577.54	K	Relay (1.0) Calculated Property
Tc	779.11	K	Relay (1.0) Calculated Property
Tfus	280.83	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Similar Compounds

Find more compounds similar to Octanoic acid, morpholide.

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
• 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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