Chemical Properties of l-Valine, n-pentafluoropropionyl-, propyl ester

InChI

InChI=1S/C11H16F5NO3/c1-4-5-20-8(18)7(6(2)3)17-9(19)10(12,13)11(14,15)16/h6-7H,4-5H2,1-3H3,(H,17,19)

InChI Key

YTVFCNKAGWICST-UHFFFAOYSA-N

Formula

C11H16F5NO3

SMILES

CCCOC(=O)C(NC(=O)C(F)(F)C(F)(F)F)C(C)C

Molecular Weight¹

305.24

• 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	0.6014		Relay (1.0) Calculated Property
ΔfG°	-1204.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-1755.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.26	kJ/mol	Joback Calculated Property
ΔvapH°	64.43	kJ/mol	Relay (1.0) Calculated Property
IE	9.69	eV	Relay (1.0) Calculated Property
log10WS	-3.58		Relay (1.0) Calculated Property
logPoct/wat	2.278		Crippen Calculated Property
McVol	193.690	ml/mol	McGowan Calculated Property
Pc	1853.11	kPa	Joback Calculated Property
Inp	[1222.00; 1222.00]
Inp	1222.00		NIST
Inp	1222.00		NIST
Tboil	466.67	K	Relay (1.0) Calculated Property
Tc	615.19	K	Relay (1.0) Calculated Property
Tfus	317.76	K	Relay (1.0) Calculated Property
Vc	0.693	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[539.55; 606.02]	J/mol×K	[620.42; 790.36]
Cp,gas	539.55	J/mol×K	620.42	Joback Calculated Property
Cp,gas	552.38	J/mol×K	648.74	Joback Calculated Property
Cp,gas	564.47	J/mol×K	677.07	Joback Calculated Property
Cp,gas	575.85	J/mol×K	705.39	Joback Calculated Property
Cp,gas	586.55	J/mol×K	733.72	Joback Calculated Property
Cp,gas	596.59	J/mol×K	762.04	Joback Calculated Property
Cp,gas	606.02	J/mol×K	790.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Valine, n-pentafluoropropionyl-, propyl ester.

Sources

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

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