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

InChI

InChI=1S/C21H37NO4/c1-5-7-9-10-11-12-13-14-15-16-18-25-20(23)19(3)22(4)21(24)26-17-8-6-2/h19H,5,7,9-18H2,1-4H3

InChI Key

RXLRHOQCBJYZDP-UHFFFAOYSA-N

Formula

C21H37NO4

SMILES

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

Molecular Weight¹

367.52

• 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	0.9495		Relay (1.0) Calculated Property
ΔfG°	-30.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-784.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.34	kJ/mol	Joback Calculated Property
ΔvapH°	110.63	kJ/mol	Relay (1.0) Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
log10WS	-5.27		Relay (1.0) Calculated Property
logPoct/wat	4.931		Crippen Calculated Property
McVol	323.010	ml/mol	McGowan Calculated Property
Pc	1129.10	kPa	Joback Calculated Property
Inp	[2494.00; 2494.00]
Inp	2494.00		NIST
Inp	2494.00		NIST
Tboil	614.42	K	Relay (1.0) Calculated Property
Tc	820.70	K	Relay (1.0) Calculated Property
Tfus	317.51	K	Relay (1.0) Calculated Property
Vc	1.190	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1023.74; 1113.97]	J/mol×K	[853.46; 1048.40]
Cp,gas	1023.74	J/mol×K	853.46	Joback Calculated Property
Cp,gas	1041.57	J/mol×K	885.95	Joback Calculated Property
Cp,gas	1058.25	J/mol×K	918.44	Joback Calculated Property
Cp,gas	1073.81	J/mol×K	950.93	Joback Calculated Property
Cp,gas	1088.26	J/mol×K	983.42	Joback Calculated Property
Cp,gas	1101.64	J/mol×K	1015.91	Joback Calculated Property
Cp,gas	1113.97	J/mol×K	1048.40	Joback Calculated Property

Similar Compounds

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

Sources

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

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