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

InChI

InChI=1S/C19H35NO4/c1-5-7-9-10-11-12-13-14-16-23-18(21)17(3)20(4)19(22)24-15-8-6-2/h6,17H,2,5,7-16H2,1,3-4H3

InChI Key

BWSCUVNNJOEXOL-UHFFFAOYSA-N

Formula

C19H35NO4

SMILES

C=CCCOC(=O)N(C)C(C)C(=O)OCCCCCCCCCC

Molecular Weight¹

341.49

• 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	0.9326		Relay (1.0) Calculated Property
ΔfG°	-162.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-913.69	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.76	kJ/mol	Joback Calculated Property
ΔvapH°	98.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.93	eV	Relay (1.0) Calculated Property
log10WS	-4.29		Relay (1.0) Calculated Property
logPoct/wat	4.703		Crippen Calculated Property
McVol	299.130	ml/mol	McGowan Calculated Property
Pc	1187.42	kPa	Joback Calculated Property
Inp	[2199.00; 2199.00]
Inp	2199.00		NIST
Inp	2199.00		NIST
Tboil	622.68	K	Relay (1.0) Calculated Property
Tc	792.73	K	Relay (1.0) Calculated Property
Tfus	269.63	K	Relay (1.0) Calculated Property
Vc	1.105	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[925.70; 1016.35]	J/mol×K	[795.38; 978.86]
Cp,gas	925.70	J/mol×K	795.38	Joback Calculated Property
Cp,gas	943.24	J/mol×K	825.96	Joback Calculated Property
Cp,gas	959.78	J/mol×K	856.54	Joback Calculated Property
Cp,gas	975.34	J/mol×K	887.12	Joback Calculated Property
Cp,gas	989.94	J/mol×K	917.70	Joback Calculated Property
Cp,gas	1003.60	J/mol×K	948.28	Joback Calculated Property
Cp,gas	1016.35	J/mol×K	978.86	Joback Calculated Property

Similar Compounds

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

Sources

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

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