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

InChI

InChI=1S/C14H25NO4/c1-5-7-8-9-10-11-19-13(16)12(3)15(4)14(17)18-6-2/h6,12H,2,5,7-11H2,1,3-4H3

InChI Key

HDGWWKCTVGFFLH-UHFFFAOYSA-N

Formula

C14H25NO4

SMILES

C=COC(=O)N(C)C(C)C(=O)OCCCCCCC

Molecular Weight¹

271.35

• 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	0.8144		Relay (1.0) Calculated Property
ΔfG°	-204.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-798.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.81	kJ/mol	Joback Calculated Property
ΔvapH°	82.10	kJ/mol	Relay (1.0) Calculated Property
IE	8.75	eV	Relay (1.0) Calculated Property
log10WS	-3.01		Relay (1.0) Calculated Property
logPoct/wat	3.100		Crippen Calculated Property
McVol	228.680	ml/mol	McGowan Calculated Property
Pc	1704.71	kPa	Joback Calculated Property
Inp	[1742.00; 1742.00]
Inp	1742.00		NIST
Inp	1742.00		NIST
Tboil	566.36	K	Relay (1.0) Calculated Property
Tc	730.61	K	Relay (1.0) Calculated Property
Tfus	256.74	K	Relay (1.0) Calculated Property
Vc	0.841	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[639.14; 721.18]	J/mol×K	[680.98; 860.58]
Cp,gas	639.14	J/mol×K	680.98	Joback Calculated Property
Cp,gas	654.75	J/mol×K	710.91	Joback Calculated Property
Cp,gas	669.57	J/mol×K	740.85	Joback Calculated Property
Cp,gas	683.61	J/mol×K	770.78	Joback Calculated Property
Cp,gas	696.88	J/mol×K	800.71	Joback Calculated Property
Cp,gas	709.40	J/mol×K	830.65	Joback Calculated Property
Cp,gas	721.18	J/mol×K	860.58	Joback Calculated Property

Similar Compounds

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

Sources

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

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