Chemical Properties of DL-Alanine, N-methyl-N-(byt-2-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/h18H,5,7,9-17H2,1-4H3

InChI Key

AYMSHITUCNYNNS-UHFFFAOYSA-N

Formula

C20H35NO4

SMILES

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

Molecular Weight¹

353.50

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.9130		Relay (1.0) Calculated Property
ΔfG°	-39.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-763.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.75	kJ/mol	Joback Calculated Property
ΔvapH°	106.52	kJ/mol	Relay (1.0) Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
log10WS	-4.93		Relay (1.0) Calculated Property
logPoct/wat	4.541		Crippen Calculated Property
McVol	308.920	ml/mol	McGowan Calculated Property
Pc	1205.63	kPa	Joback Calculated Property
Inp	[2396.00; 2396.00]
Inp	2396.00		NIST
Inp	2396.00		NIST
Tboil	607.04	K	Relay (1.0) Calculated Property
Tc	812.16	K	Relay (1.0) Calculated Property
Tfus	313.88	K	Relay (1.0) Calculated Property
Vc	1.135	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[963.20; 1052.42]	J/mol×K	[830.58; 1023.23]
Cp,gas	963.20	J/mol×K	830.58	Joback Calculated Property
Cp,gas	980.73	J/mol×K	862.69	Joback Calculated Property
Cp,gas	997.16	J/mol×K	894.80	Joback Calculated Property
Cp,gas	1012.53	J/mol×K	926.91	Joback Calculated Property
Cp,gas	1026.84	J/mol×K	959.01	Joback Calculated Property
Cp,gas	1040.13	J/mol×K	991.12	Joback Calculated Property
Cp,gas	1052.42	J/mol×K	1023.23	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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