Chemical Properties of (E)-N-Isobutyldec-2-enamide (CAS 73785-32-7)

InChI

InChI=1S/C14H27NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h10-11,13H,4-9,12H2,1-3H3,(H,15,16)/b11-10+

InChI Key

BBZPUGFXXAPEJY-ZHACJKMWSA-N

Formula

C14H27NO

SMILES

CCCCCCCC=CC(O)=NCC(C)C

Molecular Weight¹

225.37

CAS

73785-32-7

• Δ_vapH° : Enthalpy of vaporization 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_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
ΔvapH°	93.93	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.516		Crippen Calculated Property
McVol	215.370	ml/mol	McGowan Calculated Property
Inp	[1855.70; 1855.70]
Inp	1855.70		NIST
Inp	1855.70		NIST
Tboil	576.79	K	Relay (1.0) Calculated Property
Tfus	340.21	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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.

Similar Compounds

Find more compounds similar to (E)-N-Isobutyldec-2-enamide.

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.