Chemical Properties of cis-9-Hexadecenoic acid, 4,4-dimethyloxazoline (dmox) derivative

InChI

InChI=1S/C20H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-21-20(2,3)18-22-19/h9-10H,4-8,11-18H2,1-3H3/b10-9-

InChI Key

BYFWBRIYEWDFSU-KTKRTIGZSA-N

Formula

C20H37NO

SMILES

CCCCCCC=CCCCCCCCC1=NC(C)(C)CO1

Molecular Weight¹

307.51

• 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°	49.34	kJ/mol	Joback Calculated Property
IE	8.36	eV	Relay (1.0) Calculated Property
logPoct/wat	6.451		Crippen Calculated Property
McVol	289.050	ml/mol	McGowan Calculated Property
Inp	[2104.00; 2104.00]
Inp	2104.00		NIST
Inp	2104.00		NIST
Tboil	598.93	K	Relay (1.0) Calculated Property
Tfus	267.40	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	[908.91; 1026.39]	J/mol×K	[761.47; 955.44]
Cp,gas	908.91	J/mol×K	761.47	Joback Calculated Property
Cp,gas	930.22	J/mol×K	793.80	Joback Calculated Property
Cp,gas	950.69	J/mol×K	826.13	Joback Calculated Property
Cp,gas	970.44	J/mol×K	858.46	Joback Calculated Property
Cp,gas	989.57	J/mol×K	890.78	Joback Calculated Property
Cp,gas	1008.19	J/mol×K	923.11	Joback Calculated Property
Cp,gas	1026.39	J/mol×K	955.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-9-Hexadecenoic 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.
These property values are available through the Cheméo API. A free account gives you an access key.