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

• 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).
• 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
ΔfG°	-137.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-1162.36	kJ/mol	Joback Calculated Property
ΔfusH°	79.25	kJ/mol	Joback Calculated Property
ΔvapH°	108.24	kJ/mol	Joback Calculated Property
log10WS	-10.54		Crippen 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	1118.14	K	Joback Calculated Property
Tc	1434.75	K	Joback Calculated Property
Tfus	593.46	K	Joback Calculated Property
Vc	1.931	m3/kmol	Joback 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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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