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

InChI

InChI=1S/C18H31NO4/c1-5-7-9-10-11-12-13-15-22-17(20)16(3)19(4)18(21)23-14-8-6-2/h16H,5,7,9-15H2,1-4H3

InChI Key

DMQRVYWDBPVVPL-UHFFFAOYSA-N

Formula

C18H31NO4

SMILES

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

Molecular Weight¹

325.44

• 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°	-56.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-569.90	kJ/mol	Joback Calculated Property
ΔfusH°	50.57	kJ/mol	Joback Calculated Property
ΔvapH°	77.78	kJ/mol	Joback Calculated Property
log10WS	-4.54		Crippen Calculated Property
logPoct/wat	3.760		Crippen Calculated Property
McVol	280.740	ml/mol	McGowan Calculated Property
Pc	1384.02	kPa	Joback Calculated Property
Inp	[2203.00; 2203.00]
Inp	2203.00		NIST
Inp	2203.00		NIST
Tboil	784.82	K	Joback Calculated Property
Tc	975.05	K	Joback Calculated Property
Tfus	560.51	K	Joback Calculated Property
Vc	1.065	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[844.49; 931.54]	J/mol×K	[784.82; 975.05]
Cp,gas	844.49	J/mol×K	784.82	Joback Calculated Property
Cp,gas	861.43	J/mol×K	816.52	Joback Calculated Property
Cp,gas	877.38	J/mol×K	848.23	Joback Calculated Property
Cp,gas	892.35	J/mol×K	879.93	Joback Calculated Property
Cp,gas	906.35	J/mol×K	911.64	Joback Calculated Property
Cp,gas	919.41	J/mol×K	943.34	Joback Calculated Property
Cp,gas	931.54	J/mol×K	975.05	Joback Calculated Property

Similar Compounds

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

Sources

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

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