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

InChI

InChI=1S/C24H47NO4/c1-6-8-10-12-13-14-15-16-18-19-28-23(26)22(21(3)4)25(5)24(27)29-20-17-11-9-7-2/h21-22H,6-20H2,1-5H3

InChI Key

AGNLWSZYFMBGSI-UHFFFAOYSA-N

Formula

C24H47NO4

SMILES

CCCCCCCCCCCOC(=O)C(C(C)C)N(C)C(=O)OCCCCCC

Molecular Weight¹

413.64

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1102.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.46	kJ/mol	Joback Calculated Property
ΔvapH°	113.99	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.97		Relay (1.0) Calculated Property
logPoct/wat	6.734		Crippen Calculated Property
McVol	373.880	ml/mol	McGowan Calculated Property
Pc	856.97	kPa	Joback Calculated Property
Inp	[2632.00; 2632.00]
Inp	2632.00		NIST
Inp	2632.00		NIST
Tboil	630.09	K	Relay (1.0) Calculated Property
Tc	823.64	K	Relay (1.0) Calculated Property
Tfus	289.29	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1263.02; 1363.40]	J/mol×K	[912.66; 1118.65]
Cp,gas	1263.02	J/mol×K	912.66	Joback Calculated Property
Cp,gas	1283.26	J/mol×K	946.99	Joback Calculated Property
Cp,gas	1302.04	J/mol×K	981.32	Joback Calculated Property
Cp,gas	1319.40	J/mol×K	1015.66	Joback Calculated Property
Cp,gas	1335.38	J/mol×K	1049.99	Joback Calculated Property
Cp,gas	1350.03	J/mol×K	1084.32	Joback Calculated Property
Cp,gas	1363.40	J/mol×K	1118.65	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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