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

InChI

InChI=1S/C17H25NO3/c1-5-11-21-17(20)15(12(3)4)18-16(19)14-9-7-13(6-2)8-10-14/h7-10,12,15H,5-6,11H2,1-4H3,(H,18,19)

InChI Key

NSOZYLSLPCWHHK-UHFFFAOYSA-N

Formula

C17H25NO3

SMILES

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

Molecular Weight¹

291.39

• 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).
• 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	-620.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.46	kJ/mol	Joback Calculated Property
log10WS	-4.22		Relay (1.0) Calculated Property
logPoct/wat	2.957		Crippen Calculated Property
McVol	245.620	ml/mol	McGowan Calculated Property
Pc	1683.79	kPa	Joback Calculated Property
Inp	[2212.00; 2212.00]
Inp	2212.00		NIST
Inp	2212.00		NIST
Tboil	604.94	K	Relay (1.0) Calculated Property
Tc	833.13	K	Relay (1.0) Calculated Property
Tfus	337.84	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of vaporization at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[344.23; 809.90]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.97700e+00
Coefficient B			1.48568e+00
Coefficient C			-8.06860e-04
Coefficient D			1.35060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	344.23	J/mol×K	273.00	Calculated Property
Cp,gas	426.62	J/mol×K	353.78	Calculated Property
Cp,gas	500.35	J/mol×K	434.56	Calculated Property
Cp,gas	565.85	J/mol×K	515.33	Calculated Property
Cp,gas	623.55	J/mol×K	596.11	Calculated Property
Cp,gas	673.86	J/mol×K	676.89	Calculated Property
Cp,gas	717.23	J/mol×K	757.67	Calculated Property
Cp,gas	754.08	J/mol×K	838.44	Calculated Property
Cp,gas	784.82	J/mol×K	919.22	Calculated Property
Cp,gas	809.90	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(4-ethylbenzoyl)-, propyl 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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