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

InChI

InChI=1S/C28H55NO4/c1-7-10-12-13-14-15-16-17-18-19-20-22-32-27(30)26(24(4)5)29(6)28(31)33-23-25(9-3)21-11-8-2/h24-26H,7-23H2,1-6H3

InChI Key

ZIDKMEUHLNWPOW-UHFFFAOYSA-N

Formula

C28H55NO4

SMILES

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

Molecular Weight¹

469.74

• 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	1.2029		Relay (... Calculated Property
ΔfG°	-179.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-1196.92	kJ/mol	Relay (... Calculated Property
ΔfusH°	66.30	kJ/mol	Joback Calculated Property
ΔvapH°	126.65	kJ/mol	Relay (... Calculated Property
IE	8.88	eV	Relay (... Calculated Property
log10WS	-7.12		Relay (... Calculated Property
logPoct/wat	8.150		Crippen Calculated Property
McVol	430.240	ml/mol	McGowan Calculated Property
Pc	695.45	kPa	Joback Calculated Property
Inp	[2924.00; 2924.00]
Inp	2924.00		NIST
Inp	2924.00		NIST
Tboil	658.65	K	Relay (... Calculated Property
Tc	851.60	K	Relay (... Calculated Property
Tfus	268.67	K	Relay (... Calculated Property
Vc	1.603	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1520.75; 1625.67]	J/mol×K	[1003.74; 1243.81]
Cp,gas	1520.75	J/mol×K	1003.74	Joback Calculated Property
Cp,gas	1543.08	J/mol×K	1043.75	Joback Calculated Property
Cp,gas	1563.35	J/mol×K	1083.76	Joback Calculated Property
Cp,gas	1581.66	J/mol×K	1123.78	Joback Calculated Property
Cp,gas	1598.09	J/mol×K	1163.79	Joback Calculated Property
Cp,gas	1612.73	J/mol×K	1203.80	Joback Calculated Property
Cp,gas	1625.67	J/mol×K	1243.81	Joback Calculated Property

Similar Compounds

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

Sources

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

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