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

InChI

InChI=1S/C32H63NO4/c1-7-10-12-13-14-15-16-17-18-19-20-21-22-23-24-26-36-31(34)30(28(4)5)33(6)32(35)37-27-29(9-3)25-11-8-2/h28-30H,7-27H2,1-6H3

InChI Key

GWGXOWNBIKSINP-UHFFFAOYSA-N

Formula

C32H63NO4

SMILES

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

Molecular Weight¹

525.85

• 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°	-145.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-1141.72	kJ/mol	Joback Calculated Property
ΔfusH°	76.66	kJ/mol	Joback Calculated Property
ΔvapH°	106.02	kJ/mol	Joback Calculated Property
log10WS	-10.12		Crippen Calculated Property
logPoct/wat	9.710		Crippen Calculated Property
McVol	486.600	ml/mol	McGowan Calculated Property
Pc	573.43	kPa	Joback Calculated Property
Inp	[3332.00; 3332.00]
Inp	3332.00		NIST
Inp	3332.00		NIST
Tboil	1095.26	K	Joback Calculated Property
Tc	1392.95	K	Joback Calculated Property
Tfus	582.19	K	Joback Calculated Property
Vc	1.875	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1782.88; 1892.56]	J/mol×K	[1095.26; 1392.95]
Cp,gas	1782.88	J/mol×K	1095.26	Joback Calculated Property
Cp,gas	1808.18	J/mol×K	1144.88	Joback Calculated Property
Cp,gas	1830.40	J/mol×K	1194.49	Joback Calculated Property
Cp,gas	1849.74	J/mol×K	1244.11	Joback Calculated Property
Cp,gas	1866.42	J/mol×K	1293.72	Joback Calculated Property
Cp,gas	1880.62	J/mol×K	1343.34	Joback Calculated Property
Cp,gas	1892.56	J/mol×K	1392.95	Joback Calculated Property

Similar Compounds

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

Sources

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

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