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

InChI

InChI=1S/C23H43NO4/c1-5-7-9-10-11-12-13-14-15-16-17-18-20-27-22(25)21(3)24(4)23(26)28-19-8-6-2/h6,21H,2,5,7-20H2,1,3-4H3

InChI Key

MYMNEGYESZVIGQ-UHFFFAOYSA-N

Formula

C23H43NO4

SMILES

C=CCCOC(=O)N(C)C(C)C(=O)OCCCCCCCCCCCCCC

Molecular Weight¹

397.59

• 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	1.0760		Relay (1.0) Calculated Property
ΔfG°	-128.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-996.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.12	kJ/mol	Joback Calculated Property
ΔvapH°	113.61	kJ/mol	Relay (1.0) Calculated Property
IE	9.06	eV	Relay (1.0) Calculated Property
log10WS	-5.54		Relay (1.0) Calculated Property
logPoct/wat	6.264		Crippen Calculated Property
McVol	355.490	ml/mol	McGowan Calculated Property
Pc	926.11	kPa	Joback Calculated Property
Inp	[2590.00; 2590.00]
Inp	2590.00		NIST
Inp	2590.00		NIST
Tboil	651.95	K	Relay (1.0) Calculated Property
Tc	825.11	K	Relay (1.0) Calculated Property
Tfus	287.18	K	Relay (1.0) Calculated Property
Vc	1.325	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1170.66; 1267.57]	J/mol×K	[886.90; 1085.96]
Cp,gas	1170.66	J/mol×K	886.90	Joback Calculated Property
Cp,gas	1189.89	J/mol×K	920.08	Joback Calculated Property
Cp,gas	1207.84	J/mol×K	953.25	Joback Calculated Property
Cp,gas	1224.53	J/mol×K	986.43	Joback Calculated Property
Cp,gas	1240.03	J/mol×K	1019.61	Joback Calculated Property
Cp,gas	1254.36	J/mol×K	1052.78	Joback Calculated Property
Cp,gas	1267.57	J/mol×K	1085.96	Joback Calculated Property

Similar Compounds

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

Sources

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

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