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

InChI

InChI=1S/C24H43NO4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-21-28-23(26)22(3)25(4)24(27)29-20-8-6-2/h2,22H,5,7-21H2,1,3-4H3

InChI Key

DBTGMITXJGIYSC-UHFFFAOYSA-N

Formula

C24H43NO4

SMILES

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

Molecular Weight¹

409.60

• 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	1.0695		Relay (1.0) Calculated Property
ΔfG°	14.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-855.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	65.96	kJ/mol	Joback Calculated Property
ΔvapH°	122.17	kJ/mol	Relay (1.0) Calculated Property
IE	8.97	eV	Relay (1.0) Calculated Property
log10WS	-6.01		Relay (1.0) Calculated Property
logPoct/wat	6.101		Crippen Calculated Property
McVol	365.280	ml/mol	McGowan Calculated Property
Pc	931.78	kPa	Joback Calculated Property
Inp	[2703.00; 2703.00]
Inp	2703.00		NIST
Inp	2703.00		NIST
Tboil	663.24	K	Relay (1.0) Calculated Property
Tc	841.96	K	Relay (1.0) Calculated Property
Tfus	323.74	K	Relay (1.0) Calculated Property
Vc	1.348	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1202.32; 1298.08]	J/mol×K	[903.22; 1105.92]
Cp,gas	1202.32	J/mol×K	903.22	Joback Calculated Property
Cp,gas	1221.36	J/mol×K	937.00	Joback Calculated Property
Cp,gas	1239.10	J/mol×K	970.79	Joback Calculated Property
Cp,gas	1255.60	J/mol×K	1004.57	Joback Calculated Property
Cp,gas	1270.89	J/mol×K	1038.36	Joback Calculated Property
Cp,gas	1285.04	J/mol×K	1072.14	Joback Calculated Property
Cp,gas	1298.08	J/mol×K	1105.92	Joback Calculated Property

Similar Compounds

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

Sources

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

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