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

InChI

InChI=1S/C13H21NO4/c1-5-7-9-17-12(15)11(3)14(4)13(16)18-10-8-6-2/h5-6,11H,1-2,7-10H2,3-4H3

InChI Key

GLVVDXACJLNFQD-UHFFFAOYSA-N

Formula

C13H21NO4

SMILES

C=CCCOC(=O)C(C)N(C)C(=O)OCCC=C

Molecular Weight¹

255.31

• 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	0.6712		Relay (1.0) Calculated Property
ΔfG°	-125.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-715.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.94	kJ/mol	Joback Calculated Property
ΔvapH°	79.37	kJ/mol	Relay (1.0) Calculated Property
IE	8.93	eV	Relay (1.0) Calculated Property
log10WS	-1.70		Relay (1.0) Calculated Property
logPoct/wat	2.139		Crippen Calculated Property
McVol	210.290	ml/mol	McGowan Calculated Property
Pc	1916.94	kPa	Joback Calculated Property
Inp	[1638.00; 1638.00]
Inp	1638.00		NIST
Inp	1638.00		NIST
Tboil	567.58	K	Relay (1.0) Calculated Property
Tc	736.37	K	Relay (1.0) Calculated Property
Tfus	250.96	K	Relay (1.0) Calculated Property
Vc	0.741	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[562.47; 639.13]	J/mol×K	[654.78; 837.65]
Cp,gas	562.47	J/mol×K	654.78	Joback Calculated Property
Cp,gas	577.08	J/mol×K	685.26	Joback Calculated Property
Cp,gas	590.94	J/mol×K	715.74	Joback Calculated Property
Cp,gas	604.06	J/mol×K	746.21	Joback Calculated Property
Cp,gas	616.45	J/mol×K	776.69	Joback Calculated Property
Cp,gas	628.14	J/mol×K	807.17	Joback Calculated Property
Cp,gas	639.13	J/mol×K	837.65	Joback Calculated Property

Similar Compounds

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

Sources

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

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