Chemical Properties of DL-3-Aminobutanoic acid, N-hexyloxycarbonyl-, dodecyl ester

InChI

InChI=1S/C23H45NO4/c1-4-6-8-10-11-12-13-14-15-17-18-27-22(25)20-21(3)24-23(26)28-19-16-9-7-5-2/h21H,4-20H2,1-3H3,(H,24,26)

InChI Key

ZNWCNCMGNXINFC-UHFFFAOYSA-N

Formula

C23H45NO4

SMILES

CCCCCCCCCCCCOC(=O)CC(C)N=C(O)OCCCCCC

Molecular Weight¹

399.61

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1151.78	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	131.09	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.76		Relay (1.0) Calculated Property
logPoct/wat	6.740		Crippen Calculated Property
McVol	359.790	ml/mol	McGowan Calculated Property
Pc	846.03	kPa	Joback Calculated Property
Inp	[2692.00; 2692.00]
Inp	2692.00		NIST
Inp	2692.00		NIST
Tboil	627.30	K	Relay (1.0) Calculated Property
Tc	843.08	K	Relay (1.0) Calculated Property
Tfus	324.36	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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-3-Aminobutanoic acid, N-hexyloxycarbonyl-, dodecyl ester.

Sources

• Cheméo Relay (1.0)
• 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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