Chemical Properties of DL-Alanine, N-methyl-N-(vinyloxycarbonyl)-, hexyl ester

InChI

InChI=1S/C13H23NO4/c1-5-7-8-9-10-18-12(15)11(3)14(4)13(16)17-6-2/h6,11H,2,5,7-10H2,1,3-4H3

InChI Key

MRLXPDBXNZOTAQ-UHFFFAOYSA-N

Formula

C13H23NO4

SMILES

C=COC(=O)N(C)C(C)C(=O)OCCCCCC

Molecular Weight¹

257.33

• 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	0.7763		Relay (1.0) Calculated Property
ΔfG°	-213.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-779.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.22	kJ/mol	Joback Calculated Property
ΔvapH°	78.67	kJ/mol	Relay (1.0) Calculated Property
IE	8.77	eV	Relay (1.0) Calculated Property
log10WS	-2.59		Relay (1.0) Calculated Property
logPoct/wat	2.710		Crippen Calculated Property
McVol	214.590	ml/mol	McGowan Calculated Property
Pc	1848.33	kPa	Joback Calculated Property
Inp	[1641.00; 1641.00]
Inp	1641.00		NIST
Inp	1641.00		NIST
Tboil	556.05	K	Relay (1.0) Calculated Property
Tc	719.56	K	Relay (1.0) Calculated Property
Tfus	252.16	K	Relay (1.0) Calculated Property
Vc	0.786	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[585.22; 665.03]	J/mol×K	[658.10; 838.44]
Cp,gas	585.22	J/mol×K	658.10	Joback Calculated Property
Cp,gas	600.37	J/mol×K	688.16	Joback Calculated Property
Cp,gas	614.77	J/mol×K	718.21	Joback Calculated Property
Cp,gas	628.42	J/mol×K	748.27	Joback Calculated Property
Cp,gas	641.34	J/mol×K	778.33	Joback Calculated Property
Cp,gas	653.54	J/mol×K	808.38	Joback Calculated Property
Cp,gas	665.03	J/mol×K	838.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(vinyloxycarbonyl)-, hexyl ester.

Sources

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

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