Chemical Properties of DL-Alanine, N-methyl-N-hexyloxycarbonyl-, decyl ester

InChI

InChI=1S/C21H41NO4/c1-5-7-9-11-12-13-14-16-17-25-20(23)19(3)22(4)21(24)26-18-15-10-8-6-2/h19H,5-18H2,1-4H3

InChI Key

SSWQYCXHFBFMDF-UHFFFAOYSA-N

Formula

C21H41NO4

SMILES

CCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCCC

Molecular Weight¹

371.55

• 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	1.0520		Relay (1.0) Calculated Property
ΔfG°	-233.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-1057.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.22	kJ/mol	Joback Calculated Property
ΔvapH°	106.76	kJ/mol	Relay (1.0) Calculated Property
IE	8.86	eV	Relay (1.0) Calculated Property
log10WS	-5.17		Relay (1.0) Calculated Property
logPoct/wat	5.708		Crippen Calculated Property
McVol	331.610	ml/mol	McGowan Calculated Property
Pc	1016.83	kPa	Joback Calculated Property
Inp	[2408.00; 2408.00]
Inp	2408.00		NIST
Inp	2408.00		NIST
Tboil	614.21	K	Relay (1.0) Calculated Property
Tc	805.22	K	Relay (1.0) Calculated Property
Tfus	287.52	K	Relay (1.0) Calculated Property
Vc	1.268	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1074.49; 1170.82]	J/mol×K	[844.46; 1034.29]
Cp,gas	1074.49	J/mol×K	844.46	Joback Calculated Property
Cp,gas	1093.39	J/mol×K	876.10	Joback Calculated Property
Cp,gas	1111.11	J/mol×K	907.74	Joback Calculated Property
Cp,gas	1127.68	J/mol×K	939.38	Joback Calculated Property
Cp,gas	1143.14	J/mol×K	971.02	Joback Calculated Property
Cp,gas	1157.51	J/mol×K	1002.66	Joback Calculated Property
Cp,gas	1170.82	J/mol×K	1034.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-hexyloxycarbonyl-, decyl 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.