Chemical Properties of Glycine, N-methyl-N-allyloxycarbonyl-, heptyl ester

InChI

InChI=1S/C14H25NO4/c1-4-6-7-8-9-11-18-13(16)12-15(3)14(17)19-10-5-2/h5H,2,4,6-12H2,1,3H3

InChI Key

MIJBJBIEKIBXBZ-UHFFFAOYSA-N

Formula

C14H25NO4

SMILES

C=CCOC(=O)N(C)CC(=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	0.8139		Relay (1.0) Calculated Property
ΔfG°	-202.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-788.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.33	kJ/mol	Joback Calculated Property
ΔvapH°	84.74	kJ/mol	Relay (1.0) Calculated Property
IE	9.04	eV	Relay (1.0) Calculated Property
log10WS	-2.87		Relay (1.0) Calculated Property
logPoct/wat	2.754		Crippen Calculated Property
McVol	228.680	ml/mol	McGowan Calculated Property
Pc	1693.51	kPa	Joback Calculated Property
Inp	[1753.00; 1753.00]
Inp	1753.00		NIST
Inp	1753.00		NIST
Tboil	592.26	K	Relay (1.0) Calculated Property
Tc	752.38	K	Relay (1.0) Calculated Property
Tfus	244.14	K	Relay (1.0) Calculated Property
Vc	0.849	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[638.67; 719.73]	J/mol×K	[681.42; 858.67]
Cp,gas	638.67	J/mol×K	681.42	Joback Calculated Property
Cp,gas	654.05	J/mol×K	710.96	Joback Calculated Property
Cp,gas	668.66	J/mol×K	740.50	Joback Calculated Property
Cp,gas	682.52	J/mol×K	770.04	Joback Calculated Property
Cp,gas	695.64	J/mol×K	799.58	Joback Calculated Property
Cp,gas	708.04	J/mol×K	829.12	Joback Calculated Property
Cp,gas	719.73	J/mol×K	858.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glycine, N-methyl-N-allyloxycarbonyl-, heptyl ester.

Sources

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

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