Chemical Properties of DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, hexadecyl ester

InChI

InChI=1S/C25H45NO4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-29-24(27)23(3)26(4)25(28)30-21-8-6-2/h23H,5,7,9-22H2,1-4H3

InChI Key

RIUZWFKSRNAUQJ-UHFFFAOYSA-N

Formula

C25H45NO4

SMILES

CC#CCOC(=O)N(C)C(C)C(=O)OCCCCCCCCCCCCCCCC

Molecular Weight¹

423.63

• 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°	2.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-714.38	kJ/mol	Joback Calculated Property
ΔfusH°	68.70	kJ/mol	Joback Calculated Property
ΔvapH°	93.36	kJ/mol	Joback Calculated Property
log10WS	-7.47		Crippen Calculated Property
logPoct/wat	6.491		Crippen Calculated Property
McVol	379.370	ml/mol	McGowan Calculated Property
Pc	885.77	kPa	Joback Calculated Property
Inp	[2878.00; 2878.00]
Inp	2878.00		NIST
Inp	2878.00		NIST
Tboil	944.98	K	Joback Calculated Property
Tc	1157.68	K	Joback Calculated Property
Tfus	639.40	K	Joback Calculated Property
Vc	1.458	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1272.35; 1366.62]	J/mol×K	[944.98; 1157.68]
Cp,gas	1272.35	J/mol×K	944.98	Joback Calculated Property
Cp,gas	1291.60	J/mol×K	980.43	Joback Calculated Property
Cp,gas	1309.37	J/mol×K	1015.88	Joback Calculated Property
Cp,gas	1325.71	J/mol×K	1051.33	Joback Calculated Property
Cp,gas	1340.66	J/mol×K	1086.78	Joback Calculated Property
Cp,gas	1354.29	J/mol×K	1122.23	Joback Calculated Property
Cp,gas	1366.62	J/mol×K	1157.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, hexadecyl ester.

Sources

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

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