Chemical Properties of DL-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, octadecyl ester

InChI

InChI=1S/C33H65NO4/c1-7-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-37-32(35)31(29(4)5)34(6)33(36)38-28-30(9-3)26-11-8-2/h29-31H,7-28H2,1-6H3

InChI Key

DCIIXTLFVRMOOG-UHFFFAOYSA-N

Formula

C33H65NO4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C(C)C)N(C)C(=O)OCC(CC)CCCC

Molecular Weight¹

539.87

• 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	1.3790		Relay (... Calculated Property
ΔfG°	-137.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-1296.93	kJ/mol	Relay (... Calculated Property
ΔfusH°	79.25	kJ/mol	Joback Calculated Property
ΔvapH°	146.15	kJ/mol	Relay (... Calculated Property
IE	9.07	eV	Relay (... Calculated Property
log10WS	-8.66		Relay (... Calculated Property
logPoct/wat	10.101		Crippen Calculated Property
McVol	500.690	ml/mol	McGowan Calculated Property
Pc	547.95	kPa	Joback Calculated Property
Inp	[3436.00; 3436.00]
Inp	3436.00		NIST
Inp	3436.00		NIST
Tboil	691.65	K	Relay (... Calculated Property
Tc	883.66	K	Relay (... Calculated Property
Tfus	284.50	K	Relay (... Calculated Property
Vc	1.877	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1848.88; 1959.56]	J/mol×K	[1118.14; 1434.75]
Cp,gas	1848.88	J/mol×K	1118.14	Joback Calculated Property
Cp,gas	1875.06	J/mol×K	1170.91	Joback Calculated Property
Cp,gas	1897.80	J/mol×K	1223.68	Joback Calculated Property
Cp,gas	1917.37	J/mol×K	1276.45	Joback Calculated Property
Cp,gas	1934.01	J/mol×K	1329.22	Joback Calculated Property
Cp,gas	1947.99	J/mol×K	1381.98	Joback Calculated Property
Cp,gas	1959.56	J/mol×K	1434.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, octadecyl 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.