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

InChI

InChI=1S/C17H31NO4/c1-5-7-9-10-11-12-14-21-16(19)15(3)18(4)17(20)22-13-8-6-2/h6,15H,2,5,7-14H2,1,3-4H3

InChI Key

AELBTEKYZMXDCW-UHFFFAOYSA-N

Formula

C17H31NO4

SMILES

C=CCCOC(=O)N(C)C(C)C(=O)OCCCCCCCC

Molecular Weight¹

313.43

• 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	0.8591		Relay (1.0) Calculated Property
ΔfG°	-179.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-872.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.58	kJ/mol	Joback Calculated Property
ΔvapH°	89.90	kJ/mol	Relay (1.0) Calculated Property
IE	8.88	eV	Relay (1.0) Calculated Property
log10WS	-3.59		Relay (1.0) Calculated Property
logPoct/wat	3.923		Crippen Calculated Property
McVol	270.950	ml/mol	McGowan Calculated Property
Pc	1361.64	kPa	Joback Calculated Property
Inp	[2026.00; 2026.00]
Inp	2026.00		NIST
Inp	2026.00		NIST
Tboil	606.77	K	Relay (1.0) Calculated Property
Tc	773.80	K	Relay (1.0) Calculated Property
Tfus	259.34	K	Relay (1.0) Calculated Property
Vc	0.995	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[808.01; 895.55]	J/mol×K	[749.62; 929.82]
Cp,gas	808.01	J/mol×K	749.62	Joback Calculated Property
Cp,gas	824.81	J/mol×K	779.65	Joback Calculated Property
Cp,gas	840.71	J/mol×K	809.69	Joback Calculated Property
Cp,gas	855.71	J/mol×K	839.72	Joback Calculated Property
Cp,gas	869.83	J/mol×K	869.75	Joback Calculated Property
Cp,gas	883.11	J/mol×K	899.79	Joback Calculated Property
Cp,gas	895.55	J/mol×K	929.82	Joback Calculated Property

Similar Compounds

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

Sources

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

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