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

InChI

InChI=1S/C25H47NO4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-29-24(27)23(3)26(4)25(28)30-21-8-6-2/h6,23H,2,5,7-22H2,1,3-4H3

InChI Key

RURNLLFXGUIEKH-UHFFFAOYSA-N

Formula

C25H47NO4

SMILES

C=CCCOC(=O)N(C)C(C)C(=O)OCCCCCCCCCCCCCCCC

Molecular Weight¹

425.64

• 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	1.1468		Relay (1.0) Calculated Property
ΔfG°	-112.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-1037.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.30	kJ/mol	Joback Calculated Property
ΔvapH°	121.40	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-6.17		Relay (1.0) Calculated Property
logPoct/wat	7.044		Crippen Calculated Property
McVol	383.670	ml/mol	McGowan Calculated Property
Pc	826.69	kPa	Joback Calculated Property
Inp	[2785.00; 2785.00]
Inp	2785.00		NIST
Inp	2785.00		NIST
Tboil	665.67	K	Relay (1.0) Calculated Property
Tc	839.56	K	Relay (1.0) Calculated Property
Tfus	294.24	K	Relay (1.0) Calculated Property
Vc	1.435	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1296.90; 1397.29]	J/mol×K	[932.66; 1145.09]
Cp,gas	1296.90	J/mol×K	932.66	Joback Calculated Property
Cp,gas	1317.19	J/mol×K	968.07	Joback Calculated Property
Cp,gas	1335.97	J/mol×K	1003.47	Joback Calculated Property
Cp,gas	1353.32	J/mol×K	1038.88	Joback Calculated Property
Cp,gas	1369.28	J/mol×K	1074.28	Joback Calculated Property
Cp,gas	1383.92	J/mol×K	1109.69	Joback Calculated Property
Cp,gas	1397.29	J/mol×K	1145.09	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.