Chemical Properties of L-Valine, N-(3-bromobenzoyl)-, pentyl ester

InChI

InChI=1S/C17H24BrNO3/c1-4-5-6-10-22-17(21)15(12(2)3)19-16(20)13-8-7-9-14(18)11-13/h7-9,11-12,15H,4-6,10H2,1-3H3,(H,19,20)

InChI Key

LVROHIZESMZYGZ-UHFFFAOYSA-N

Formula

C17H24BrNO3

SMILES

CCCCCOC(=O)C(NC(=O)c1cccc(Br)c1)C(C)C

Molecular Weight¹

370.28

• 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°	-68.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-457.29	kJ/mol	Joback Calculated Property
ΔfusH°	41.16	kJ/mol	Joback Calculated Property
ΔvapH°	84.37	kJ/mol	Joback Calculated Property
log10WS	-5.48		Crippen Calculated Property
logPoct/wat	3.937		Crippen Calculated Property
McVol	263.120	ml/mol	McGowan Calculated Property
Pc	1846.75	kPa	Joback Calculated Property
Inp	[2450.00; 2450.00]
Inp	2450.00		NIST
Inp	2450.00		NIST
Tboil	865.63	K	Joback Calculated Property
Tc	1083.89	K	Joback Calculated Property
Tfus	524.84	K	Joback Calculated Property
Vc	0.995	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[772.81; 840.17]	J/mol×K	[865.63; 1083.89]
Cp,gas	772.81	J/mol×K	865.63	Joback Calculated Property
Cp,gas	786.55	J/mol×K	902.01	Joback Calculated Property
Cp,gas	799.22	J/mol×K	938.38	Joback Calculated Property
Cp,gas	810.87	J/mol×K	974.76	Joback Calculated Property
Cp,gas	821.55	J/mol×K	1011.13	Joback Calculated Property
Cp,gas	831.30	J/mol×K	1047.51	Joback Calculated Property
Cp,gas	840.17	J/mol×K	1083.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(3-bromobenzoyl)-, pentyl ester.

Sources

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

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