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

InChI

InChI=1S/C25H49NO4/c1-6-8-10-12-14-15-17-19-21-30-25(28)26(5)23(22(3)4)24(27)29-20-18-16-13-11-9-7-2/h22-23H,6-21H2,1-5H3

InChI Key

XQUPGCAUKGQGJQ-UHFFFAOYSA-N

Formula

C25H49NO4

SMILES

CCCCCCCCCCOC(=O)N(C)C(C(=O)OCCCCCCCC)C(C)C

Molecular Weight¹

427.66

• 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°	-202.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-991.96	kJ/mol	Joback Calculated Property
ΔfusH°	62.05	kJ/mol	Joback Calculated Property
ΔvapH°	90.82	kJ/mol	Joback Calculated Property
log10WS	-7.43		Crippen Calculated Property
logPoct/wat	7.124		Crippen Calculated Property
McVol	387.970	ml/mol	McGowan Calculated Property
Pc	810.76	kPa	Joback Calculated Property
Inp	[2731.00; 2731.00]
Inp	2731.00		NIST
Inp	2731.00		NIST
Tboil	935.54	K	Joback Calculated Property
Tc	1148.84	K	Joback Calculated Property
Tfus	518.30	K	Joback Calculated Property
Vc	1.490	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1326.77; 1428.60]	J/mol×K	[935.54; 1148.84]
Cp,gas	1326.77	J/mol×K	935.54	Joback Calculated Property
Cp,gas	1347.53	J/mol×K	971.09	Joback Calculated Property
Cp,gas	1366.71	J/mol×K	1006.64	Joback Calculated Property
Cp,gas	1384.35	J/mol×K	1042.19	Joback Calculated Property
Cp,gas	1400.51	J/mol×K	1077.74	Joback Calculated Property
Cp,gas	1415.24	J/mol×K	1113.29	Joback Calculated Property
Cp,gas	1428.60	J/mol×K	1148.84	Joback Calculated Property

Similar Compounds

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

Sources

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

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