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

InChI

InChI=1S/C19H33NO4/c1-5-7-9-10-11-12-13-14-16-23-18(21)17(3)20(4)19(22)24-15-8-6-2/h17H,5,7,9-16H2,1-4H3

InChI Key

KQLIOIXIELKITC-UHFFFAOYSA-N

Formula

C19H33NO4

SMILES

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

Molecular Weight¹

339.47

• 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°	-47.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-590.54	kJ/mol	Joback Calculated Property
ΔfusH°	53.16	kJ/mol	Joback Calculated Property
ΔvapH°	80.01	kJ/mol	Joback Calculated Property
log10WS	-4.96		Crippen Calculated Property
logPoct/wat	4.151		Crippen Calculated Property
McVol	294.830	ml/mol	McGowan Calculated Property
Pc	1290.21	kPa	Joback Calculated Property
Inp	[2300.00; 2300.00]
Inp	2300.00		NIST
Inp	2300.00		NIST
Tboil	807.70	K	Joback Calculated Property
Tc	998.80	K	Joback Calculated Property
Tfus	571.78	K	Joback Calculated Property
Vc	1.121	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[903.42; 991.60]	J/mol×K	[807.70; 998.80]
Cp,gas	903.42	J/mol×K	807.70	Joback Calculated Property
Cp,gas	920.66	J/mol×K	839.55	Joback Calculated Property
Cp,gas	936.85	J/mol×K	871.40	Joback Calculated Property
Cp,gas	952.03	J/mol×K	903.25	Joback Calculated Property
Cp,gas	966.19	J/mol×K	935.10	Joback Calculated Property
Cp,gas	979.38	J/mol×K	966.95	Joback Calculated Property
Cp,gas	991.60	J/mol×K	998.80	Joback Calculated Property

Similar Compounds

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

Sources

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

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