Chemical Properties of DL-Alanine, N-methyl-N-(byt-3-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/h2,17H,5,7-16H2,1,3-4H3

InChI Key

LNWDBHJJAVKANV-UHFFFAOYSA-N

Formula

C19H33NO4

SMILES

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

Molecular Weight¹

339.47

• 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	0.8903		Relay (1.0) Calculated Property
ΔfG°	-27.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-749.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.01	kJ/mol	Joback Calculated Property
ΔvapH°	102.28	kJ/mol	Relay (1.0) Calculated Property
IE	8.82	eV	Relay (1.0) Calculated Property
log10WS	-4.39		Relay (1.0) Calculated Property
logPoct/wat	4.151		Crippen Calculated Property
McVol	294.830	ml/mol	McGowan Calculated Property
Pc	1279.16	kPa	Joback Calculated Property
Inp	[2216.00; 2216.00]
Inp	2216.00		NIST
Inp	2216.00		NIST
Tboil	626.40	K	Relay (1.0) Calculated Property
Tc	800.92	K	Relay (1.0) Calculated Property
Tfus	306.37	K	Relay (1.0) Calculated Property
Vc	1.075	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[897.54; 985.79]	J/mol×K	[788.82; 974.29]
Cp,gas	897.54	J/mol×K	788.82	Joback Calculated Property
Cp,gas	914.61	J/mol×K	819.73	Joback Calculated Property
Cp,gas	930.70	J/mol×K	850.64	Joback Calculated Property
Cp,gas	945.84	J/mol×K	881.56	Joback Calculated Property
Cp,gas	960.05	J/mol×K	912.47	Joback Calculated Property
Cp,gas	973.36	J/mol×K	943.38	Joback Calculated Property
Cp,gas	985.79	J/mol×K	974.29	Joback Calculated Property

Similar Compounds

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

Sources

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

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