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

InChI

InChI=1S/C30H59NO4/c1-7-10-12-13-14-15-16-17-18-19-20-21-22-24-34-29(32)28(26(4)5)31(6)30(33)35-25-27(9-3)23-11-8-2/h26-28H,7-25H2,1-6H3

InChI Key

SNWHFXFVZQRPTP-UHFFFAOYSA-N

Formula

C30H59NO4

SMILES

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

Molecular Weight¹

497.79

• 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	1.2735		Relay (... Calculated Property
ΔfG°	-162.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-1236.36	kJ/mol	Relay (... Calculated Property
ΔfusH°	71.48	kJ/mol	Joback Calculated Property
ΔvapH°	134.54	kJ/mol	Relay (... Calculated Property
IE	8.96	eV	Relay (... Calculated Property
log10WS	-7.74		Relay (... Calculated Property
logPoct/wat	8.930		Crippen Calculated Property
McVol	458.420	ml/mol	McGowan Calculated Property
Pc	630.03	kPa	Joback Calculated Property
Inp	[3131.00; 3131.00]
Inp	3131.00		NIST
Inp	3131.00		NIST
Tboil	672.05	K	Relay (... Calculated Property
Tc	864.74	K	Relay (... Calculated Property
Tfus	275.57	K	Relay (... Calculated Property
Vc	1.713	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1651.38; 1758.80]	J/mol×K	[1049.50; 1315.06]
Cp,gas	1651.38	J/mol×K	1049.50	Joback Calculated Property
Cp,gas	1675.08	J/mol×K	1093.76	Joback Calculated Property
Cp,gas	1696.29	J/mol×K	1138.02	Joback Calculated Property
Cp,gas	1715.14	J/mol×K	1182.28	Joback Calculated Property
Cp,gas	1731.75	J/mol×K	1226.54	Joback Calculated Property
Cp,gas	1746.26	J/mol×K	1270.80	Joback Calculated Property
Cp,gas	1758.80	J/mol×K	1315.06	Joback Calculated Property

Similar Compounds

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

Sources

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

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