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

InChI

InChI=1S/C15H25NO4/c1-5-7-9-10-12-19-14(17)13(3)16(4)15(18)20-11-8-6-2/h2,13H,5,7-12H2,1,3-4H3

InChI Key

JUFDEMFANLEZAH-UHFFFAOYSA-N

Formula

C15H25NO4

SMILES

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

Molecular Weight¹

283.36

• 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	0.7404		Relay (1.0) Calculated Property
ΔfG°	-61.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-665.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.65	kJ/mol	Joback Calculated Property
ΔvapH°	86.77	kJ/mol	Relay (1.0) Calculated Property
IE	8.83	eV	Relay (1.0) Calculated Property
log10WS	-2.84		Relay (1.0) Calculated Property
logPoct/wat	2.590		Crippen Calculated Property
McVol	238.470	ml/mol	McGowan Calculated Property
Pc	1718.88	kPa	Joback Calculated Property
Inp	[1858.00; 1858.00]
Inp	1858.00		NIST
Inp	1858.00		NIST
Tboil	591.05	K	Relay (1.0) Calculated Property
Tc	761.08	K	Relay (1.0) Calculated Property
Tfus	290.88	K	Relay (1.0) Calculated Property
Vc	0.856	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[669.36; 750.93]	J/mol×K	[697.30; 881.42]
Cp,gas	669.36	J/mol×K	697.30	Joback Calculated Property
Cp,gas	684.96	J/mol×K	727.99	Joback Calculated Property
Cp,gas	699.73	J/mol×K	758.67	Joback Calculated Property
Cp,gas	713.70	J/mol×K	789.36	Joback Calculated Property
Cp,gas	726.88	J/mol×K	820.05	Joback Calculated Property
Cp,gas	739.28	J/mol×K	850.73	Joback Calculated Property
Cp,gas	750.93	J/mol×K	881.42	Joback Calculated Property

Similar Compounds

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

Sources

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

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