Chemical Properties of «gamma»-Linolenic acid, 4,4-dimethyloxazoline (dmox) derivative

InChI

InChI=1S/C22H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-22(2,3)20-24-21/h8-9,11-12,14-15H,4-7,10,13,16-20H2,1-3H3/b9-8-,12-11-,15-14-

InChI Key

IJXSTTVMOUXCRF-ORZIMQNZSA-N

Formula

C22H37NO

SMILES

CCCCCC=CCC=CCC=CCCCCC1=NC(C)(C)CO1

Molecular Weight¹

331.54

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	54.93	kJ/mol	Joback Calculated Property
logPoct/wat	6.783		Crippen Calculated Property
McVol	308.630	ml/mol	McGowan Calculated Property
Inp	[2288.20; 2288.20]
Inp	2288.20		NIST
Inp	2288.20		NIST
Tfus	273.99	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[426.89; 1093.03]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.23810e+02
Coefficient B			2.49244e+00
Coefficient C			-1.91550e-03
Coefficient D			6.39900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	426.89	J/mol×K	273.00	Calculated Property
Cp,gas	546.55	J/mol×K	353.78	Calculated Property
Cp,gas	650.08	J/mol×K	434.56	Calculated Property
Cp,gas	739.51	J/mol×K	515.33	Calculated Property
Cp,gas	816.84	J/mol×K	596.11	Calculated Property
Cp,gas	884.11	J/mol×K	676.89	Calculated Property
Cp,gas	943.34	J/mol×K	757.67	Calculated Property
Cp,gas	996.56	J/mol×K	838.44	Calculated Property
Cp,gas	1045.78	J/mol×K	919.22	Calculated Property
Cp,gas	1093.03	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to «gamma»-Linolenic 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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