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

InChI

InChI=1S/C23H45NO4/c1-6-8-10-12-14-16-18-27-22(25)21(20(3)4)24(5)23(26)28-19-17-15-13-11-9-7-2/h20-21H,6-19H2,1-5H3

InChI Key

KVVLDHIUUGDCQA-UHFFFAOYSA-N

Formula

C23H45NO4

SMILES

CCCCCCCCOC(=O)C(C(C)C)N(C)C(=O)OCCCCCCCC

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°	-219.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-950.68	kJ/mol	Joback Calculated Property
ΔfusH°	56.88	kJ/mol	Joback Calculated Property
ΔvapH°	86.37	kJ/mol	Joback Calculated Property
log10WS	-6.59		Crippen Calculated Property
logPoct/wat	6.344		Crippen Calculated Property
McVol	359.790	ml/mol	McGowan Calculated Property
Pc	907.24	kPa	Joback Calculated Property
Inp	[2523.00; 2523.00]
Inp	2523.00		NIST
Inp	2523.00		NIST
Tboil	889.78	K	Joback Calculated Property
Tc	1089.53	K	Joback Calculated Property
Tfus	495.76	K	Joback Calculated Property
Vc	1.377	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1199.76; 1298.73]	J/mol×K	[889.78; 1089.53]
Cp,gas	1199.76	J/mol×K	889.78	Joback Calculated Property
Cp,gas	1219.52	J/mol×K	923.07	Joback Calculated Property
Cp,gas	1237.93	J/mol×K	956.36	Joback Calculated Property
Cp,gas	1255.02	J/mol×K	989.65	Joback Calculated Property
Cp,gas	1270.82	J/mol×K	1022.95	Joback Calculated Property
Cp,gas	1285.38	J/mol×K	1056.24	Joback Calculated Property
Cp,gas	1298.73	J/mol×K	1089.53	Joback Calculated Property

Similar Compounds

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

Sources

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

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