Chemical Properties of DL-Alanine, N-methyl-N-(byt-4-en-1-yloxycarbonyl)-, pentadecyl ester

InChI

InChI=1S/C24H45NO4/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/h6,22H,2,5,7-21H2,1,3-4H3

InChI Key

SXSFKEZDZBESHM-UHFFFAOYSA-N

Formula

C24H45NO4

SMILES

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

Molecular Weight¹

411.62

• 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	1.1115		Relay (1.0) Calculated Property
ΔfG°	-120.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-1016.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.71	kJ/mol	Joback Calculated Property
ΔvapH°	117.48	kJ/mol	Relay (1.0) Calculated Property
IE	9.09	eV	Relay (1.0) Calculated Property
log10WS	-5.85		Relay (1.0) Calculated Property
logPoct/wat	6.654		Crippen Calculated Property
McVol	369.580	ml/mol	McGowan Calculated Property
Pc	874.28	kPa	Joback Calculated Property
Inp	[2686.00; 2686.00]
Inp	2686.00		NIST
Inp	2686.00		NIST
Tboil	658.83	K	Relay (1.0) Calculated Property
Tc	832.45	K	Relay (1.0) Calculated Property
Tfus	290.84	K	Relay (1.0) Calculated Property
Vc	1.380	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1233.52; 1332.12]	J/mol×K	[909.78; 1115.00]
Cp,gas	1233.52	J/mol×K	909.78	Joback Calculated Property
Cp,gas	1253.25	J/mol×K	943.98	Joback Calculated Property
Cp,gas	1271.60	J/mol×K	978.19	Joback Calculated Property
Cp,gas	1288.62	J/mol×K	1012.39	Joback Calculated Property
Cp,gas	1304.34	J/mol×K	1046.59	Joback Calculated Property
Cp,gas	1318.83	J/mol×K	1080.79	Joback Calculated Property
Cp,gas	1332.12	J/mol×K	1115.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(byt-4-en-1-yloxycarbonyl)-, pentadecyl ester.

Sources

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

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