Chemical Properties of DL-Alanine, N-methyl-N-(byt-3-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/h2,16H,5,7-15H2,1,3-4H3

InChI Key

UUOQFTZEXCQTGQ-UHFFFAOYSA-N

Formula

C18H31NO4

SMILES

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

Molecular Weight¹

325.44

• 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	0.8534		Relay (1.0) Calculated Property
ΔfG°	-35.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-728.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.42	kJ/mol	Joback Calculated Property
ΔvapH°	98.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-4.03		Relay (1.0) Calculated Property
logPoct/wat	3.760		Crippen Calculated Property
McVol	280.740	ml/mol	McGowan Calculated Property
Pc	1371.74	kPa	Joback Calculated Property
Inp	[2130.00; 2130.00]
Inp	2130.00		NIST
Inp	2130.00		NIST
Tboil	618.45	K	Relay (1.0) Calculated Property
Tc	791.44	K	Relay (1.0) Calculated Property
Tfus	302.40	K	Relay (1.0) Calculated Property
Vc	1.021	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[838.98; 925.73]	J/mol×K	[765.94; 950.21]
Cp,gas	838.98	J/mol×K	765.94	Joback Calculated Property
Cp,gas	855.70	J/mol×K	796.65	Joback Calculated Property
Cp,gas	871.48	J/mol×K	827.36	Joback Calculated Property
Cp,gas	886.36	J/mol×K	858.08	Joback Calculated Property
Cp,gas	900.34	J/mol×K	888.79	Joback Calculated Property
Cp,gas	913.46	J/mol×K	919.50	Joback Calculated Property
Cp,gas	925.73	J/mol×K	950.21	Joback Calculated Property

Similar Compounds

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

Sources

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

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