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

InChI

InChI=1S/C23H45NO4/c1-8-12-14-19(10-3)16-27-22(25)21(18(5)6)24(7)23(26)28-17-20(11-4)15-13-9-2/h18-21H,8-17H2,1-7H3

InChI Key

HAPMECDFNLCJQM-UHFFFAOYSA-N

Formula

C23H45NO4

SMILES

CCCCC(CC)COC(=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°	-224.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-961.24	kJ/mol	Joback Calculated Property
ΔfusH°	49.83	kJ/mol	Joback Calculated Property
ΔvapH°	85.59	kJ/mol	Joback Calculated Property
log10WS	-6.11		Crippen Calculated Property
logPoct/wat	6.055		Crippen Calculated Property
McVol	359.790	ml/mol	McGowan Calculated Property
Pc	916.05	kPa	Joback Calculated Property
Inp	[2329.00; 2329.00]
Inp	2329.00		NIST
Inp	2329.00		NIST
Tboil	888.90	K	Joback Calculated Property
Tc	1088.27	K	Joback Calculated Property
Tfus	465.76	K	Joback Calculated Property
Vc	1.365	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1200.62; 1298.90]	J/mol×K	[888.90; 1088.27]
Cp,gas	1200.62	J/mol×K	888.90	Joback Calculated Property
Cp,gas	1220.31	J/mol×K	922.13	Joback Calculated Property
Cp,gas	1238.63	J/mol×K	955.36	Joback Calculated Property
Cp,gas	1255.61	J/mol×K	988.59	Joback Calculated Property
Cp,gas	1271.29	J/mol×K	1021.82	Joback Calculated Property
Cp,gas	1285.71	J/mol×K	1055.04	Joback Calculated Property
Cp,gas	1298.90	J/mol×K	1088.27	Joback Calculated Property

Similar Compounds

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

Sources

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

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