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

InChI

InChI=1S/C26H51NO4/c1-7-10-12-13-14-15-16-17-18-20-30-25(28)24(22(4)5)27(6)26(29)31-21-23(9-3)19-11-8-2/h22-24H,7-21H2,1-6H3

InChI Key

YYGWYCUOHYVPMO-UHFFFAOYSA-N

Formula

C26H51NO4

SMILES

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

Molecular Weight¹

441.69

• 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	1.1324		Relay (... Calculated Property
ΔfG°	-196.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-1157.47	kJ/mol	Relay (... Calculated Property
ΔfusH°	61.12	kJ/mol	Joback Calculated Property
ΔvapH°	118.87	kJ/mol	Relay (... Calculated Property
IE	8.81	eV	Relay (... Calculated Property
log10WS	-6.49		Relay (... Calculated Property
logPoct/wat	7.370		Crippen Calculated Property
McVol	402.060	ml/mol	McGowan Calculated Property
Pc	771.60	kPa	Joback Calculated Property
Inp	[2723.00; 2723.00]
Inp	2723.00		NIST
Inp	2723.00		NIST
Tboil	645.06	K	Relay (... Calculated Property
Tc	837.21	K	Relay (... Calculated Property
Tfus	261.24	K	Relay (... Calculated Property
Vc	1.494	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1391.31; 1493.65]	J/mol×K	[957.98; 1178.26]
Cp,gas	1391.31	J/mol×K	957.98	Joback Calculated Property
Cp,gas	1412.46	J/mol×K	994.69	Joback Calculated Property
Cp,gas	1431.89	J/mol×K	1031.41	Joback Calculated Property
Cp,gas	1449.66	J/mol×K	1068.12	Joback Calculated Property
Cp,gas	1465.84	J/mol×K	1104.83	Joback Calculated Property
Cp,gas	1480.48	J/mol×K	1141.54	Joback Calculated Property
Cp,gas	1493.65	J/mol×K	1178.26	Joback Calculated Property

Similar Compounds

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

Sources

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

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