Chemical Properties of cis-15-Tetracosenoic acid, 4,4-dimethyloxazoline (dmox) derivative

InChI

InChI=1S/C28H53NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-28(2,3)26-30-27/h11-12H,4-10,13-26H2,1-3H3/b12-11-

InChI Key

JHOIBVDGYFJMIL-QXMHVHEDSA-N

Formula

C28H53NO

SMILES

CCCCCCCCC=CCCCCCCCCCCCCCC1=NC(C)(C)CO1

Molecular Weight¹

419.73

• 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°	70.07	kJ/mol	Joback Calculated Property
IE	8.67	eV	Relay (1.0) Calculated Property
logPoct/wat	9.572		Crippen Calculated Property
McVol	401.770	ml/mol	McGowan Calculated Property
Inp	[2908.20; 2908.20]
Inp	2908.20		NIST
Inp	2908.20		NIST
Tboil	653.20	K	Relay (1.0) Calculated Property
Tfus	292.29	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	[1422.96; 1573.97]	J/mol×K	[944.71; 1156.74]
Cp,gas	1422.96	J/mol×K	944.71	Joback Calculated Property
Cp,gas	1449.21	J/mol×K	980.05	Joback Calculated Property
Cp,gas	1474.82	J/mol×K	1015.39	Joback Calculated Property
Cp,gas	1499.93	J/mol×K	1050.73	Joback Calculated Property
Cp,gas	1524.72	J/mol×K	1086.07	Joback Calculated Property
Cp,gas	1549.35	J/mol×K	1121.40	Joback Calculated Property
Cp,gas	1573.97	J/mol×K	1156.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-15-Tetracosenoic 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.
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