Chemical Properties of L-Valine, N-chlorodifluoroacetyl-, ethyl ester

InChI

InChI=1S/C9H14ClF2NO3/c1-4-16-7(14)6(5(2)3)13-8(15)9(10,11)12/h5-6H,4H2,1-3H3,(H,13,15)

InChI Key

PNAMAEDJCCYRLF-UHFFFAOYSA-N

Formula

C9H14ClF2NO3

SMILES

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

Molecular Weight¹

257.66

• 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	0.4959		Relay (1.0) Calculated Property
ΔfG°	-652.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-1101.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.45	kJ/mol	Joback Calculated Property
ΔvapH°	65.09	kJ/mol	Relay (1.0) Calculated Property
IE	9.65	eV	Relay (1.0) Calculated Property
log10WS	-2.56		Relay (1.0) Calculated Property
logPoct/wat	1.522		Crippen Calculated Property
McVol	172.440	ml/mol	McGowan Calculated Property
Pc	2374.90	kPa	Joback Calculated Property
Inp	[1269.00; 1269.00]
Inp	1269.00		NIST
Inp	1269.00		NIST
Tboil	479.35	K	Relay (1.0) Calculated Property
Tc	663.53	K	Relay (1.0) Calculated Property
Tfus	338.48	K	Relay (1.0) Calculated Property
Vc	0.608	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[440.04; 501.32]	J/mol×K	[617.51; 806.81]
Cp,gas	440.04	J/mol×K	617.51	Joback Calculated Property
Cp,gas	451.94	J/mol×K	649.06	Joback Calculated Property
Cp,gas	463.13	J/mol×K	680.61	Joback Calculated Property
Cp,gas	473.64	J/mol×K	712.16	Joback Calculated Property
Cp,gas	483.50	J/mol×K	743.71	Joback Calculated Property
Cp,gas	492.71	J/mol×K	775.26	Joback Calculated Property
Cp,gas	501.32	J/mol×K	806.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-chlorodifluoroacetyl-, ethyl ester.

Sources

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

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