Chemical Properties of DL-Valine, N-methyl-N-hexyloxycarbonyl-, tridecyl ester

InChI

InChI=1S/C26H51NO4/c1-6-8-10-12-13-14-15-16-17-18-20-21-30-25(28)24(23(3)4)27(5)26(29)31-22-19-11-9-7-2/h23-24H,6-22H2,1-5H3

InChI Key

SXEBTHMVTACSQS-UHFFFAOYSA-N

Formula

C26H51NO4

SMILES

CCCCCCCCCCCCCOC(=O)C(C(C)C)N(C)C(=O)OCCCCCC

Molecular Weight¹

441.69

• 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°	-193.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-1012.60	kJ/mol	Joback Calculated Property
ΔfusH°	64.65	kJ/mol	Joback Calculated Property
ΔvapH°	93.05	kJ/mol	Joback Calculated Property
log10WS	-7.85		Crippen Calculated Property
logPoct/wat	7.514		Crippen Calculated Property
McVol	402.060	ml/mol	McGowan Calculated Property
Pc	768.19	kPa	Joback Calculated Property
Inp	[2837.00; 2837.00]
Inp	2837.00		NIST
Inp	2837.00		NIST
Tboil	958.42	K	Joback Calculated Property
Tc	1180.17	K	Joback Calculated Property
Tfus	529.57	K	Joback Calculated Property
Vc	1.546	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1390.97; 1494.27]	J/mol×K	[958.42; 1180.17]
Cp,gas	1390.97	J/mol×K	958.42	Joback Calculated Property
Cp,gas	1412.29	J/mol×K	995.38	Joback Calculated Property
Cp,gas	1431.89	J/mol×K	1032.34	Joback Calculated Property
Cp,gas	1449.83	J/mol×K	1069.30	Joback Calculated Property
Cp,gas	1466.16	J/mol×K	1106.26	Joback Calculated Property
Cp,gas	1480.95	J/mol×K	1143.22	Joback Calculated Property
Cp,gas	1494.27	J/mol×K	1180.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Valine, N-methyl-N-hexyloxycarbonyl-, tridecyl ester.

Sources

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

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