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

InChI

InChI=1S/C29H57NO4/c1-7-10-12-13-14-15-16-17-18-19-20-21-23-33-28(31)27(25(4)5)30(6)29(32)34-24-26(9-3)22-11-8-2/h25-27H,7-24H2,1-6H3

InChI Key

RUTJAPWWXGBBDF-UHFFFAOYSA-N

Formula

C29H57NO4

SMILES

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

Molecular Weight¹

483.77

• 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	1.2382		Relay (... Calculated Property
ΔfG°	-171.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-1216.64	kJ/mol	Relay (... Calculated Property
ΔfusH°	68.89	kJ/mol	Joback Calculated Property
ΔvapH°	130.60	kJ/mol	Relay (... Calculated Property
IE	8.92	eV	Relay (... Calculated Property
log10WS	-7.43		Relay (... Calculated Property
logPoct/wat	8.540		Crippen Calculated Property
McVol	444.330	ml/mol	McGowan Calculated Property
Pc	661.53	kPa	Joback Calculated Property
Inp	[3027.00; 3027.00]
Inp	3027.00		NIST
Inp	3027.00		NIST
Tboil	665.37	K	Relay (... Calculated Property
Tc	858.32	K	Relay (... Calculated Property
Tfus	272.07	K	Relay (... Calculated Property
Vc	1.658	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1585.94; 1692.13]	J/mol×K	[1026.62; 1278.67]
Cp,gas	1585.94	J/mol×K	1026.62	Joback Calculated Property
Cp,gas	1608.93	J/mol×K	1068.63	Joback Calculated Property
Cp,gas	1629.66	J/mol×K	1110.64	Joback Calculated Property
Cp,gas	1648.23	J/mol×K	1152.64	Joback Calculated Property
Cp,gas	1664.77	J/mol×K	1194.65	Joback Calculated Property
Cp,gas	1679.36	J/mol×K	1236.66	Joback Calculated Property
Cp,gas	1692.13	J/mol×K	1278.67	Joback Calculated Property

Similar Compounds

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

Sources

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

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