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

InChI

InChI=1S/C10H14F5NO3/c1-4-19-7(17)6(5(2)3)16-8(18)9(11,12)10(13,14)15/h5-6H,4H2,1-3H3,(H,16,18)

InChI Key

NQHFVNYQFLOUKD-UHFFFAOYSA-N

Formula

C10H14F5NO3

SMILES

CCOC(=O)C(NC(=O)C(F)(F)C(F)(F)F)C(C)C

Molecular Weight¹

291.22

• 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	0.5527		Relay (1.0) Calculated Property
ΔfG°	-1213.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-1734.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.67	kJ/mol	Joback Calculated Property
ΔvapH°	65.42	kJ/mol	Relay (1.0) Calculated Property
IE	9.76	eV	Relay (1.0) Calculated Property
log10WS	-3.28		Relay (1.0) Calculated Property
logPoct/wat	1.888		Crippen Calculated Property
McVol	179.600	ml/mol	McGowan Calculated Property
Pc	2016.32	kPa	Joback Calculated Property
Inp	[958.00; 958.00]
Inp	958.00		NIST
Inp	958.00		NIST
Tboil	453.53	K	Relay (1.0) Calculated Property
Tc	607.84	K	Relay (1.0) Calculated Property
Tfus	325.26	K	Relay (1.0) Calculated Property
Vc	0.641	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[489.65; 553.32]	J/mol×K	[597.54; 768.17]
Cp,gas	489.65	J/mol×K	597.54	Joback Calculated Property
Cp,gas	501.97	J/mol×K	625.98	Joback Calculated Property
Cp,gas	513.56	J/mol×K	654.42	Joback Calculated Property
Cp,gas	524.47	J/mol×K	682.85	Joback Calculated Property
Cp,gas	534.71	J/mol×K	711.29	Joback Calculated Property
Cp,gas	544.32	J/mol×K	739.73	Joback Calculated Property
Cp,gas	553.32	J/mol×K	768.17	Joback Calculated Property

Similar Compounds

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

Sources

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

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