Chemical Properties of DL-Alanine, N-methyl-N-(byt-2-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/h13H,5,7,9-12H2,1-4H3

InChI Key

XNFCPAALCITZOP-UHFFFAOYSA-N

Formula

C15H25NO4

SMILES

CC#CCOC(=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	0.7245		Relay (1.0) Calculated Property
ΔfG°	-81.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-657.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.80	kJ/mol	Joback Calculated Property
ΔvapH°	86.69	kJ/mol	Relay (1.0) Calculated Property
IE	8.70	eV	Relay (1.0) Calculated Property
log10WS	-3.00		Relay (1.0) Calculated Property
logPoct/wat	2.590		Crippen Calculated Property
McVol	238.470	ml/mol	McGowan Calculated Property
Pc	1736.11	kPa	Joback Calculated Property
Inp	[1947.00; 1947.00]
Inp	1947.00		NIST
Inp	1947.00		NIST
Tboil	566.62	K	Relay (1.0) Calculated Property
Tc	764.87	K	Relay (1.0) Calculated Property
Tfus	295.89	K	Relay (1.0) Calculated Property
Vc	0.861	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[673.51; 756.33]	J/mol×K	[716.18; 907.34]
Cp,gas	673.51	J/mol×K	716.18	Joback Calculated Property
Cp,gas	689.47	J/mol×K	748.04	Joback Calculated Property
Cp,gas	704.55	J/mol×K	779.90	Joback Calculated Property
Cp,gas	718.77	J/mol×K	811.76	Joback Calculated Property
Cp,gas	732.13	J/mol×K	843.62	Joback Calculated Property
Cp,gas	744.65	J/mol×K	875.48	Joback Calculated Property
Cp,gas	756.33	J/mol×K	907.34	Joback Calculated Property

Similar Compounds

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

Sources

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

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