Chemical Properties of DL-Alanine, N-methyl-N-(byt-3-yn-1-yloxycarbonyl)-, undecyl ester

InChI

InChI=1S/C20H35NO4/c1-5-7-9-10-11-12-13-14-15-17-24-19(22)18(3)21(4)20(23)25-16-8-6-2/h2,18H,5,7-17H2,1,3-4H3

InChI Key

OBQPGZOKHKVRMV-UHFFFAOYSA-N

Formula

C20H35NO4

SMILES

C#CCCOC(=O)N(C)C(C)C(=O)OCCCCCCCCCCC

Molecular Weight¹

353.50

• 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°	-18.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-591.58	kJ/mol	Joback Calculated Property
ΔfusH°	55.60	kJ/mol	Joback Calculated Property
ΔvapH°	79.94	kJ/mol	Joback Calculated Property
log10WS	-5.37		Crippen Calculated Property
logPoct/wat	4.541		Crippen Calculated Property
McVol	308.920	ml/mol	McGowan Calculated Property
Pc	1195.65	kPa	Joback Calculated Property
Inp	[2312.00; 2312.00]
Inp	2312.00		NIST
Inp	2312.00		NIST
Tboil	811.70	K	Joback Calculated Property
Tc	999.04	K	Joback Calculated Property
Tfus	523.92	K	Joback Calculated Property
Vc	1.177	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[957.00; 1046.70]	J/mol×K	[811.70; 999.04]
Cp,gas	957.00	J/mol×K	811.70	Joback Calculated Property
Cp,gas	974.42	J/mol×K	842.92	Joback Calculated Property
Cp,gas	990.81	J/mol×K	874.15	Joback Calculated Property
Cp,gas	1006.21	J/mol×K	905.37	Joback Calculated Property
Cp,gas	1020.64	J/mol×K	936.60	Joback Calculated Property
Cp,gas	1034.13	J/mol×K	967.82	Joback Calculated Property
Cp,gas	1046.70	J/mol×K	999.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(byt-3-yn-1-yloxycarbonyl)-, undecyl ester.

Sources

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

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