Chemical Properties of DL-Valine, N-methyl-N-decyloxycarbonyl-, undecyl ester

InChI

InChI=1S/C28H55NO4/c1-6-8-10-12-14-16-18-19-21-23-32-27(30)26(25(3)4)29(5)28(31)33-24-22-20-17-15-13-11-9-7-2/h25-26H,6-24H2,1-5H3

InChI Key

DODHFPJHOKJNRU-UHFFFAOYSA-N

Formula

C28H55NO4

SMILES

CCCCCCCCCCCOC(=O)C(C(C)C)N(C)C(=O)OCCCCCCCCCC

Molecular Weight¹

469.74

• 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).
• 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
ΔfG°	-177.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-1053.88	kJ/mol	Joback Calculated Property
ΔfusH°	69.82	kJ/mol	Joback Calculated Property
ΔvapH°	97.50	kJ/mol	Joback Calculated Property
log10WS	-8.69		Crippen Calculated Property
logPoct/wat	8.294		Crippen Calculated Property
McVol	430.240	ml/mol	McGowan Calculated Property
Pc	692.52	kPa	Joback Calculated Property
Inp	[3015.00; 3015.00]
Inp	3015.00		NIST
Inp	3015.00		NIST
Tboil	1004.18	K	Joback Calculated Property
Tc	1246.68	K	Joback Calculated Property
Tfus	552.11	K	Joback Calculated Property
Vc	1.657	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1520.48; 1626.78]	J/mol×K	[1004.18; 1246.68]
Cp,gas	1520.48	J/mol×K	1004.18	Joback Calculated Property
Cp,gas	1543.09	J/mol×K	1044.60	Joback Calculated Property
Cp,gas	1563.61	J/mol×K	1085.01	Joback Calculated Property
Cp,gas	1582.16	J/mol×K	1125.43	Joback Calculated Property
Cp,gas	1598.80	J/mol×K	1165.84	Joback Calculated Property
Cp,gas	1613.65	J/mol×K	1206.26	Joback Calculated Property
Cp,gas	1626.78	J/mol×K	1246.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Valine, N-methyl-N-decyloxycarbonyl-, undecyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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