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

InChI

InChI=1S/C24H47NO4/c1-7-10-12-13-14-15-16-18-28-23(26)22(20(4)5)25(6)24(27)29-19-21(9-3)17-11-8-2/h20-22H,7-19H2,1-6H3

InChI Key

BSTINVQYGDUEHP-UHFFFAOYSA-N

Formula

C24H47NO4

SMILES

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

Molecular Weight¹

413.63

• 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°	-213.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-976.60	kJ/mol	Joback Calculated Property
ΔfusH°	55.94	kJ/mol	Joback Calculated Property
ΔvapH°	88.21	kJ/mol	Joback Calculated Property
log10WS	-6.77		Crippen Calculated Property
logPoct/wat	6.590		Crippen Calculated Property
McVol	373.880	ml/mol	McGowan Calculated Property
Pc	861.00	kPa	Joback Calculated Property
Inp	[2523.00; 2523.00]
Inp	2523.00		NIST
Inp	2523.00		NIST
Tboil	912.22	K	Joback Calculated Property
Tc	1117.57	K	Joback Calculated Property
Tfus	492.03	K	Joback Calculated Property
Vc	1.427	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1263.43; 1363.24]	J/mol×K	[912.22; 1117.57]
Cp,gas	1263.43	J/mol×K	912.22	Joback Calculated Property
Cp,gas	1283.58	J/mol×K	946.44	Joback Calculated Property
Cp,gas	1302.27	J/mol×K	980.67	Joback Calculated Property
Cp,gas	1319.53	J/mol×K	1014.89	Joback Calculated Property
Cp,gas	1335.42	J/mol×K	1049.12	Joback Calculated Property
Cp,gas	1349.97	J/mol×K	1083.34	Joback Calculated Property
Cp,gas	1363.24	J/mol×K	1117.57	Joback Calculated Property

Similar Compounds

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

Sources

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

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