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

InChI

InChI=1S/C19H37NO4/c1-5-7-9-11-12-14-15-23-18(21)17(3)20(4)19(22)24-16-13-10-8-6-2/h17H,5-16H2,1-4H3

InChI Key

JLWVQGJHFPISHH-UHFFFAOYSA-N

Formula

C19H37NO4

SMILES

CCCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCCC

Molecular Weight¹

343.50

• 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	0.9809		Relay (1.0) Calculated Property
ΔfG°	-250.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-1016.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.04	kJ/mol	Joback Calculated Property
ΔvapH°	98.73	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-4.54		Relay (1.0) Calculated Property
logPoct/wat	4.927		Crippen Calculated Property
McVol	303.430	ml/mol	McGowan Calculated Property
Pc	1153.78	kPa	Joback Calculated Property
Inp	[2221.00; 2221.00]
Inp	2221.00		NIST
Inp	2221.00		NIST
Tboil	600.13	K	Relay (1.0) Calculated Property
Tc	789.22	K	Relay (1.0) Calculated Property
Tfus	277.97	K	Relay (1.0) Calculated Property
Vc	1.157	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[952.38; 1045.73]	J/mol×K	[798.70; 981.66]
Cp,gas	952.38	J/mol×K	798.70	Joback Calculated Property
Cp,gas	970.45	J/mol×K	829.19	Joback Calculated Property
Cp,gas	987.50	J/mol×K	859.69	Joback Calculated Property
Cp,gas	1003.53	J/mol×K	890.18	Joback Calculated Property
Cp,gas	1018.56	J/mol×K	920.67	Joback Calculated Property
Cp,gas	1032.62	J/mol×K	951.16	Joback Calculated Property
Cp,gas	1045.73	J/mol×K	981.66	Joback Calculated Property

Similar Compounds

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