Chemical Properties of L-Valine, N-pentafluorobenzoyl-, propyl ester

InChI

InChI=1S/C15H16F5NO3/c1-4-5-24-15(23)13(6(2)3)21-14(22)7-8(16)10(18)12(20)11(19)9(7)17/h6,13H,4-5H2,1-3H3,(H,21,22)

InChI Key

VPVACQKDIPIXGZ-UHFFFAOYSA-N

Formula

C15H16F5NO3

SMILES

CCCOC(=O)C(NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(C)C

Molecular Weight¹

353.28

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7692		Relay (1.0) Calculated Property
ΔfG°	-1112.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-1347.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.54	kJ/mol	Joback Calculated Property
ΔvapH°	82.72	kJ/mol	Relay (1.0) Calculated Property
IE	9.26	eV	Relay (1.0) Calculated Property
log10WS	-5.80		Relay (1.0) Calculated Property
logPoct/wat	3.090		Crippen Calculated Property
McVol	226.290	ml/mol	McGowan Calculated Property
Pc	1614.17	kPa	Joback Calculated Property
Inp	[1828.00; 1828.00]
Inp	1828.00		NIST
Inp	1828.00		NIST
Tboil	558.25	K	Relay (1.0) Calculated Property
Tc	769.38	K	Relay (1.0) Calculated Property
Tfus	369.58	K	Relay (1.0) Calculated Property
Vc	0.815	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[657.07; 718.62]	J/mol×K	[769.98; 955.82]
Cp,gas	657.07	J/mol×K	769.98	Joback Calculated Property
Cp,gas	669.22	J/mol×K	800.95	Joback Calculated Property
Cp,gas	680.60	J/mol×K	831.93	Joback Calculated Property
Cp,gas	691.23	J/mol×K	862.90	Joback Calculated Property
Cp,gas	701.10	J/mol×K	893.87	Joback Calculated Property
Cp,gas	710.23	J/mol×K	924.85	Joback Calculated Property
Cp,gas	718.62	J/mol×K	955.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-pentafluorobenzoyl-, propyl ester.

Sources

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

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