Chemical Properties of L-Valine, N-(4-ethylbenzoyl)-, heptyl ester

InChI

InChI=1S/C21H33NO3/c1-5-7-8-9-10-15-25-21(24)19(16(3)4)22-20(23)18-13-11-17(6-2)12-14-18/h11-14,16,19H,5-10,15H2,1-4H3,(H,22,23)

InChI Key

YMKJXSPJULOMNO-UHFFFAOYSA-N

Formula

C21H33NO3

SMILES

CCCCCCCOC(=O)C(NC(=O)c1ccc(CC)cc1)C(C)C

Molecular Weight¹

347.49

• 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°	-49.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-566.18	kJ/mol	Joback Calculated Property
ΔfusH°	46.24	kJ/mol	Joback Calculated Property
ΔvapH°	86.84	kJ/mol	Joback Calculated Property
log10WS	-5.96		Crippen Calculated Property
logPoct/wat	4.517		Crippen Calculated Property
McVol	301.980	ml/mol	McGowan Calculated Property
Pc	1293.93	kPa	Joback Calculated Property
Inp	[2611.00; 2611.00]
Inp	2611.00		NIST
Inp	2611.00		NIST
Tboil	890.99	K	Joback Calculated Property
Tc	1098.86	K	Joback Calculated Property
Tfus	510.12	K	Joback Calculated Property
Vc	1.157	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[968.72; 1048.74]	J/mol×K	[890.99; 1098.86]
Cp,gas	968.72	J/mol×K	890.99	Joback Calculated Property
Cp,gas	984.92	J/mol×K	925.64	Joback Calculated Property
Cp,gas	999.91	J/mol×K	960.28	Joback Calculated Property
Cp,gas	1013.75	J/mol×K	994.93	Joback Calculated Property
Cp,gas	1026.46	J/mol×K	1029.57	Joback Calculated Property
Cp,gas	1038.11	J/mol×K	1064.22	Joback Calculated Property
Cp,gas	1048.74	J/mol×K	1098.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(4-ethylbenzoyl)-, heptyl ester.

Sources

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

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