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

InChI

InChI=1S/C14H23NO4/c1-5-7-9-11-18-13(16)12(3)15(4)14(17)19-10-8-6-2/h2,12H,5,7-11H2,1,3-4H3

InChI Key

LBRLUQCUOMSEJL-UHFFFAOYSA-N

Formula

C14H23NO4

SMILES

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

Molecular Weight¹

269.34

• 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	0.7025		Relay (1.0) Calculated Property
ΔfG°	-69.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-645.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.06	kJ/mol	Joback Calculated Property
ΔvapH°	83.35	kJ/mol	Relay (1.0) Calculated Property
IE	8.83	eV	Relay (1.0) Calculated Property
log10WS	-2.42		Relay (1.0) Calculated Property
logPoct/wat	2.200		Crippen Calculated Property
McVol	224.380	ml/mol	McGowan Calculated Property
Pc	1864.33	kPa	Joback Calculated Property
Inp	[1760.00; 1760.00]
Inp	1760.00		NIST
Inp	1760.00		NIST
Tboil	580.69	K	Relay (1.0) Calculated Property
Tc	749.91	K	Relay (1.0) Calculated Property
Tfus	289.28	K	Relay (1.0) Calculated Property
Vc	0.802	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[615.11; 694.57]	J/mol×K	[674.42; 859.47]
Cp,gas	615.11	J/mol×K	674.42	Joback Calculated Property
Cp,gas	630.28	J/mol×K	705.26	Joback Calculated Property
Cp,gas	644.65	J/mol×K	736.10	Joback Calculated Property
Cp,gas	658.26	J/mol×K	766.94	Joback Calculated Property
Cp,gas	671.10	J/mol×K	797.79	Joback Calculated Property
Cp,gas	683.20	J/mol×K	828.63	Joback Calculated Property
Cp,gas	694.57	J/mol×K	859.47	Joback Calculated Property

Similar Compounds

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

Sources

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

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