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

InChI

InChI=1S/C25H49NO4/c1-7-10-12-13-14-15-16-17-19-29-24(27)23(21(4)5)26(6)25(28)30-20-22(9-3)18-11-8-2/h21-23H,7-20H2,1-6H3

InChI Key

QYSJHHSLJUGIEJ-UHFFFAOYSA-N

Formula

C25H49NO4

SMILES

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

Molecular Weight¹

427.66

• 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	1.0969		Relay (... Calculated Property
ΔfG°	-204.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-1137.75	kJ/mol	Relay (... Calculated Property
ΔfusH°	58.53	kJ/mol	Joback Calculated Property
ΔvapH°	114.93	kJ/mol	Relay (... Calculated Property
IE	8.77	eV	Relay (... Calculated Property
log10WS	-6.17		Relay (... Calculated Property
logPoct/wat	6.980		Crippen Calculated Property
McVol	387.970	ml/mol	McGowan Calculated Property
Pc	814.46	kPa	Joback Calculated Property
Inp	[2623.00; 2623.00]
Inp	2623.00		NIST
Inp	2623.00		NIST
Tboil	638.19	K	Relay (... Calculated Property
Tc	829.68	K	Relay (... Calculated Property
Tfus	257.20	K	Relay (... Calculated Property
Vc	1.439	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1327.15; 1428.21]	J/mol×K	[935.10; 1147.35]
Cp,gas	1327.15	J/mol×K	935.10	Joback Calculated Property
Cp,gas	1347.78	J/mol×K	970.48	Joback Calculated Property
Cp,gas	1366.83	J/mol×K	1005.85	Joback Calculated Property
Cp,gas	1384.34	J/mol×K	1041.23	Joback Calculated Property
Cp,gas	1400.37	J/mol×K	1076.60	Joback Calculated Property
Cp,gas	1414.98	J/mol×K	1111.98	Joback Calculated Property
Cp,gas	1428.21	J/mol×K	1147.35	Joback Calculated Property

Similar Compounds

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

Sources

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

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