Chemical Properties of DL-«beta»-Homoleucine, N-dimethylaminomethylene-, butyl ester

InChI

InChI=1S/C14H28N2O2/c1-6-7-8-18-14(17)10-13(9-12(2)3)15-11-16(4)5/h11-13H,6-10H2,1-5H3

InChI Key

AXMSKPLPWPENJK-UHFFFAOYSA-N

Formula

C14H28N2O2

SMILES

CCCCOC(=O)CC(CC(C)C)N=CN(C)C

Molecular Weight¹

256.38

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-514.65	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	74.30	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.724		Crippen Calculated Property
McVol	231.220	ml/mol	McGowan Calculated Property
Inp	[1642.00; 1642.00]
Inp	1642.00		NIST
Inp	1642.00		NIST
Tboil	557.18	K	Relay (1.0) Calculated Property
Tc	746.47	K	Relay (1.0) Calculated Property
Tfus	250.81	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, 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 DL-«beta»-Homoleucine, N-dimethylaminomethylene-, butyl ester.

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.
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