Chemical Properties of DL-Alanine, N-methyl-N-(byt-4-en-1-yloxycarbonyl)-, octadecyl ester

InChI

InChI=1S/C27H51NO4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-31-26(29)25(3)28(4)27(30)32-23-8-6-2/h6,25H,2,5,7-24H2,1,3-4H3

InChI Key

DEIWRKYKURVHGT-UHFFFAOYSA-N

Formula

C27H51NO4

SMILES

C=CCCOC(=O)N(C)C(C)C(=O)OCCCCCCCCCCCCCCCCCC

Molecular Weight¹

453.70

• 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°	-95.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-902.53	kJ/mol	Joback Calculated Property
ΔfusH°	69.48	kJ/mol	Joback Calculated Property
ΔvapH°	94.99	kJ/mol	Joback Calculated Property
log10WS	-8.36		Crippen Calculated Property
logPoct/wat	7.824		Crippen Calculated Property
McVol	411.850	ml/mol	McGowan Calculated Property
Pc	742.45	kPa	Joback Calculated Property
Inp	[2981.00; 2981.00]
Inp	2981.00		NIST
Inp	2981.00		NIST
Tboil	978.42	K	Joback Calculated Property
Tc	1208.81	K	Joback Calculated Property
Tfus	554.08	K	Joback Calculated Property
Vc	1.589	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1425.05; 1529.23]	J/mol×K	[978.42; 1208.81]
Cp,gas	1425.05	J/mol×K	978.42	Joback Calculated Property
Cp,gas	1446.59	J/mol×K	1016.82	Joback Calculated Property
Cp,gas	1466.35	J/mol×K	1055.22	Joback Calculated Property
Cp,gas	1484.41	J/mol×K	1093.61	Joback Calculated Property
Cp,gas	1500.86	J/mol×K	1132.01	Joback Calculated Property
Cp,gas	1515.77	J/mol×K	1170.41	Joback Calculated Property
Cp,gas	1529.23	J/mol×K	1208.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(byt-4-en-1-yloxycarbonyl)-, octadecyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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