Chemical Properties of cis-10-Heptadecenoic acid, 4,4-dimethyloxazoline (dmox) derivative

InChI

InChI=1S/C21H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-22-21(2,3)19-23-20/h9-10H,4-8,11-19H2,1-3H3/b10-9-

InChI Key

HMKQVZSFQFGNGC-KTKRTIGZSA-N

Formula

C21H39NO

SMILES

CCCCCCC=CCCCCCCCCC1=NC(C)(C)CO1

Molecular Weight¹

321.54

• 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°	51.94	kJ/mol	Joback Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
logPoct/wat	6.841		Crippen Calculated Property
McVol	303.140	ml/mol	McGowan Calculated Property
Inp	[2212.10; 2212.10]
Inp	2212.10		NIST
Inp	2212.10		NIST
Tboil	606.69	K	Relay (1.0) Calculated Property
Tfus	271.35	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	[969.96; 1090.04]	J/mol×K	[784.35; 978.06]
Cp,gas	969.96	J/mol×K	784.35	Joback Calculated Property
Cp,gas	991.63	J/mol×K	816.63	Joback Calculated Property
Cp,gas	1012.50	J/mol×K	848.92	Joback Calculated Property
Cp,gas	1032.67	J/mol×K	881.20	Joback Calculated Property
Cp,gas	1052.24	J/mol×K	913.49	Joback Calculated Property
Cp,gas	1071.33	J/mol×K	945.77	Joback Calculated Property
Cp,gas	1090.04	J/mol×K	978.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-10-Heptadecenoic 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.