Chemical Properties of DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, tetradecyl ester

InChI

InChI=1S/C27H53NO4/c1-6-9-11-12-13-14-15-16-17-18-19-20-22-31-26(29)24(4)28(5)27(30)32-23-25(8-3)21-10-7-2/h24-25H,6-23H2,1-5H3

InChI Key

LMBZGTWDZUFXTE-UHFFFAOYSA-N

Formula

C27H53NO4

SMILES

CCCCCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCC(CC)CCCC

Molecular Weight¹

455.71

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-185.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-1033.24	kJ/mol	Joback Calculated Property
ΔfusH°	67.24	kJ/mol	Joback Calculated Property
ΔvapH°	95.28	kJ/mol	Joback Calculated Property
log10WS	-8.27		Crippen Calculated Property
logPoct/wat	7.904		Crippen Calculated Property
McVol	416.150	ml/mol	McGowan Calculated Property
Pc	728.88	kPa	Joback Calculated Property
Inp	[2870.00; 2870.00]
Inp	2870.00		NIST
Inp	2870.00		NIST
Tboil	981.30	K	Joback Calculated Property
Tc	1212.75	K	Joback Calculated Property
Tfus	540.84	K	Joback Calculated Property
Vc	1.601	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1455.55; 1560.35]	J/mol×K	[981.30; 1212.75]
Cp,gas	1455.55	J/mol×K	981.30	Joback Calculated Property
Cp,gas	1477.49	J/mol×K	1019.88	Joback Calculated Property
Cp,gas	1497.54	J/mol×K	1058.45	Joback Calculated Property
Cp,gas	1515.78	J/mol×K	1097.03	Joback Calculated Property
Cp,gas	1532.28	J/mol×K	1135.60	Joback Calculated Property
Cp,gas	1547.11	J/mol×K	1174.18	Joback Calculated Property
Cp,gas	1560.35	J/mol×K	1212.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, tetradecyl ester.

Sources

• 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.