Chemical Properties of L-Valine, N-(4-methylbenzoyl)-, undecyl ester

InChI

InChI=1S/C24H39NO3/c1-5-6-7-8-9-10-11-12-13-18-28-24(27)22(19(2)3)25-23(26)21-16-14-20(4)15-17-21/h14-17,19,22H,5-13,18H2,1-4H3,(H,25,26)

InChI Key

XTRAXVUWIFCFRE-UHFFFAOYSA-N

Formula

C24H39NO3

SMILES

CCCCCCCCCCCOC(=O)C(NC(=O)c1ccc(C)cc1)C(C)C

Molecular Weight¹

389.57

• 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°	-24.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-628.10	kJ/mol	Joback Calculated Property
ΔfusH°	54.01	kJ/mol	Joback Calculated Property
ΔvapH°	93.52	kJ/mol	Joback Calculated Property
log10WS	-7.30		Crippen Calculated Property
logPoct/wat	5.823		Crippen Calculated Property
McVol	344.250	ml/mol	McGowan Calculated Property
Pc	1062.40	kPa	Joback Calculated Property
Inp	[2905.00; 2905.00]
Inp	2905.00		NIST
Inp	2905.00		NIST
Tboil	959.63	K	Joback Calculated Property
Tc	1175.47	K	Joback Calculated Property
Tfus	543.93	K	Joback Calculated Property
Vc	1.325	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1151.67; 1233.56]	J/mol×K	[959.63; 1175.47]
Cp,gas	1151.67	J/mol×K	959.63	Joback Calculated Property
Cp,gas	1168.49	J/mol×K	995.60	Joback Calculated Property
Cp,gas	1183.96	J/mol×K	1031.58	Joback Calculated Property
Cp,gas	1198.15	J/mol×K	1067.55	Joback Calculated Property
Cp,gas	1211.10	J/mol×K	1103.52	Joback Calculated Property
Cp,gas	1222.89	J/mol×K	1139.49	Joback Calculated Property
Cp,gas	1233.56	J/mol×K	1175.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(4-methylbenzoyl)-, undecyl ester.

Sources

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

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