Chemical Properties of cis-11-Eicosenoic acid, 4,4-Dimethyloxazoline (DMOX) derivative

InChI

InChI=1S/C24H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-24(2,3)22-26-23/h11-12H,4-10,13-22H2,1-3H3/b12-11+

InChI Key

NBGAAWZXAJYMJC-QXMHVHEDSA-N

Formula

C24H45NO

SMILES

CCCCCCCC/C=C\CCCCCCCCCC1=NC(C)(C)CO1

Molecular Weight¹

363.63

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	59.70	kJ/mol	Joback Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
logPoct/wat	8.011		Crippen Calculated Property
McVol	345.410	ml/mol	McGowan Calculated Property
Inp	[2506.60; 2506.60]
Inp	2506.60		NIST
Inp	2506.60		NIST
Tboil	620.40	K	Relay (1.0) Calculated Property
Tfus	272.14	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[1158.87; 1288.71]	J/mol×K	[852.99; 1049.76]
Cp,gas	1158.87	J/mol×K	852.99	Joback Calculated Property
Cp,gas	1181.96	J/mol×K	885.79	Joback Calculated Property
Cp,gas	1204.31	J/mol×K	918.58	Joback Calculated Property
Cp,gas	1226.04	J/mol×K	951.38	Joback Calculated Property
Cp,gas	1247.27	J/mol×K	984.17	Joback Calculated Property
Cp,gas	1268.12	J/mol×K	1016.97	Joback Calculated Property
Cp,gas	1288.71	J/mol×K	1049.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-11-Eicosenoic acid, 4,4-Dimethyloxazoline (DMOX) derivative.

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.