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

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.2950		Relay (1.0) Calculated Property
ΔfG°	-246.35	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1151.78	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	130.69	kJ/mol	Relay (1.0) Calculated Property
IE	9.36	eV	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	866.58	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	836.93	K	Relay (1.0) Calculated Property
Tfus	328.65	K	Relay (1.0) Calculated Property
Vc	1.361	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to DL-3-Aminobutanoic acid, N-hexyloxycarbonyl-, dodecyl 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.