Chemical Properties of 14-Methylhexadecanoic acid, pyrrolidide

InChI

InChI=1S/C21H41NO/c1-3-20(2)16-12-10-8-6-4-5-7-9-11-13-17-21(23)22-18-14-15-19-22/h20H,3-19H2,1-2H3

InChI Key

VRAFLAJRBDTYBS-UHFFFAOYSA-N

Formula

C21H41NO

SMILES

CCC(C)CCCCCCCCCCCCC(=O)N1CCCC1

Molecular Weight¹

323.56

Other Names

• 1-(14-methylhexadecanoyl)pyrrolidine

• ω : Acentric Factor.
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9090		Relay (1.0) Calculated Property
ΔvapH°	105.23	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	6.336		Crippen Calculated Property
McVol	307.440	ml/mol	McGowan Calculated Property
Pc	973.63	kPa	Relay (1.0-beta) Calculated Property
Inp	[2605.00; 2605.00]
Inp	2605.00		NIST
Inp	2605.00		NIST
Tboil	626.78	K	Relay (1.0) Calculated Property
Tc	851.77	K	Relay (1.0) Calculated Property
Tfus	303.40	K	Relay (1.0) Calculated Property
Vc	1.164	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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.

Similar Compounds

Find more compounds similar to 14-Methylhexadecanoic acid, pyrrolidide.

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
• 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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