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

InChI

InChI=1S/C11H14F7NO3/c1-4-22-7(20)6(5(2)3)19-8(21)9(12,13)10(14,15)11(16,17)18/h5-6H,4H2,1-3H3,(H,19,21)

InChI Key

HEAQWOQEFAYBNF-UHFFFAOYSA-N

Formula

C11H14F7NO3

SMILES

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

Molecular Weight¹

341.22

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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	0.5941		Relay (1.0) Calculated Property
ΔfusH°	27.59	kJ/mol	Joback Calculated Property
ΔvapH°	69.79	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.523		Crippen Calculated Property
McVol	197.230	ml/mol	McGowan Calculated Property
Pc	1686.56	kPa	Joback Calculated Property
Inp	[1088.00; 1088.00]
Inp	1088.00		NIST
Inp	1088.00		NIST
Tboil	463.08	K	Relay (1.0) Calculated Property
Tc	617.57	K	Relay (1.0) Calculated Property
Tfus	308.66	K	Relay (1.0) Calculated Property
Vc	0.716	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[553.64; 618.50]	J/mol×K	[597.86; 760.49]
Cp,gas	553.64	J/mol×K	597.86	Joback Calculated Property
Cp,gas	566.35	J/mol×K	624.97	Joback Calculated Property
Cp,gas	578.25	J/mol×K	652.07	Joback Calculated Property
Cp,gas	589.37	J/mol×K	679.18	Joback Calculated Property
Cp,gas	599.76	J/mol×K	706.28	Joback Calculated Property
Cp,gas	609.46	J/mol×K	733.39	Joback Calculated Property
Cp,gas	618.50	J/mol×K	760.49	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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