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

InChI

InChI=1S/C31H61NO4/c1-7-10-12-13-14-15-16-17-18-19-20-21-22-23-25-35-30(33)29(27(4)5)32(6)31(34)36-26-28(9-3)24-11-8-2/h27-29H,7-26H2,1-6H3

InChI Key

ZGGCIZJXPXGHIH-UHFFFAOYSA-N

Formula

C31H61NO4

SMILES

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

Molecular Weight¹

511.82

• 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	1.3088		Relay (... Calculated Property
ΔfG°	-154.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-1256.38	kJ/mol	Relay (... Calculated Property
ΔfusH°	74.07	kJ/mol	Joback Calculated Property
ΔvapH°	138.45	kJ/mol	Relay (... Calculated Property
IE	8.99	eV	Relay (... Calculated Property
log10WS	-8.05		Relay (... Calculated Property
logPoct/wat	9.320		Crippen Calculated Property
McVol	472.510	ml/mol	McGowan Calculated Property
Pc	600.73	kPa	Joback Calculated Property
Inp	[3230.00; 3230.00]
Inp	3230.00		NIST
Inp	3230.00		NIST
Tboil	678.63	K	Relay (... Calculated Property
Tc	871.12	K	Relay (... Calculated Property
Tfus	279.07	K	Relay (... Calculated Property
Vc	1.768	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1717.03; 1825.63]	J/mol×K	[1072.38; 1353.11]
Cp,gas	1717.03	J/mol×K	1072.38	Joback Calculated Property
Cp,gas	1741.51	J/mol×K	1119.17	Joback Calculated Property
Cp,gas	1763.22	J/mol×K	1165.96	Joback Calculated Property
Cp,gas	1782.32	J/mol×K	1212.74	Joback Calculated Property
Cp,gas	1798.98	J/mol×K	1259.53	Joback Calculated Property
Cp,gas	1813.36	J/mol×K	1306.32	Joback Calculated Property
Cp,gas	1825.63	J/mol×K	1353.11	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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