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

InChI

InChI=1S/C23H45NO4/c1-7-10-12-13-14-15-17-27-22(25)21(19(4)5)24(6)23(26)28-18-20(9-3)16-11-8-2/h19-21H,7-18H2,1-6H3

InChI Key

XESGSZHBNHJFEU-UHFFFAOYSA-N

Formula

C23H45NO4

SMILES

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

Molecular Weight¹

399.61

• 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°	-221.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-955.96	kJ/mol	Joback Calculated Property
ΔfusH°	53.35	kJ/mol	Joback Calculated Property
ΔvapH°	85.98	kJ/mol	Joback Calculated Property
log10WS	-6.35		Crippen Calculated Property
logPoct/wat	6.200		Crippen Calculated Property
McVol	359.790	ml/mol	McGowan Calculated Property
Pc	911.63	kPa	Joback Calculated Property
Inp	[2423.00; 2423.00]
Inp	2423.00		NIST
Inp	2423.00		NIST
Tboil	889.34	K	Joback Calculated Property
Tc	1088.83	K	Joback Calculated Property
Tfus	480.76	K	Joback Calculated Property
Vc	1.371	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1200.19; 1298.79]	J/mol×K	[889.34; 1088.83]
Cp,gas	1200.19	J/mol×K	889.34	Joback Calculated Property
Cp,gas	1219.91	J/mol×K	922.59	Joback Calculated Property
Cp,gas	1238.27	J/mol×K	955.84	Joback Calculated Property
Cp,gas	1255.29	J/mol×K	989.08	Joback Calculated Property
Cp,gas	1271.03	J/mol×K	1022.33	Joback Calculated Property
Cp,gas	1285.52	J/mol×K	1055.58	Joback Calculated Property
Cp,gas	1298.79	J/mol×K	1088.83	Joback Calculated Property

Similar Compounds

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

Sources

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

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