Chemical Properties of DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, octadecyl ester

InChI

InChI=1S/C27H49NO4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-31-26(29)25(3)28(4)27(30)32-23-8-6-2/h25H,5,7,9-24H2,1-4H3

InChI Key

PHPKFRJDFLFVDY-UHFFFAOYSA-N

Formula

C27H49NO4

SMILES

CC#CCOC(=O)N(C)C(C)C(=O)OCCCCCCCCCCCCCCCCCC

Molecular Weight¹

451.68

• 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	1.1620		Relay (1.0) Calculated Property
ΔfG°	19.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-911.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	73.88	kJ/mol	Joback Calculated Property
ΔvapH°	134.32	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-7.13		Relay (1.0) Calculated Property
logPoct/wat	7.271		Crippen Calculated Property
McVol	407.550	ml/mol	McGowan Calculated Property
Pc	792.60	kPa	Joback Calculated Property
Inp	[3083.00; 3083.00]
Inp	3083.00		NIST
Inp	3083.00		NIST
Tboil	655.32	K	Relay (1.0) Calculated Property
Tc	864.60	K	Relay (1.0) Calculated Property
Tfus	334.06	K	Relay (1.0) Calculated Property
Vc	1.518	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1399.69; 1496.12]	J/mol×K	[990.74; 1218.49]
Cp,gas	1399.69	J/mol×K	990.74	Joback Calculated Property
Cp,gas	1419.85	J/mol×K	1028.70	Joback Calculated Property
Cp,gas	1438.28	J/mol×K	1066.66	Joback Calculated Property
Cp,gas	1455.06	J/mol×K	1104.62	Joback Calculated Property
Cp,gas	1470.25	J/mol×K	1142.58	Joback Calculated Property
Cp,gas	1483.92	J/mol×K	1180.54	Joback Calculated Property
Cp,gas	1496.12	J/mol×K	1218.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, octadecyl ester.

Sources

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

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