Chemical Properties of L-Valine, N-heptafluorobutyryl-, n-butyl ester

InChI

InChI=1S/C13H18F7NO3/c1-4-5-6-24-9(22)8(7(2)3)21-10(23)11(14,15)12(16,17)13(18,19)20/h7-8H,4-6H2,1-3H3,(H,21,23)

InChI Key

AOFDHKDMSRIGGQ-UHFFFAOYSA-N

Formula

C13H18F7NO3

SMILES

CCCCOC(=O)C(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(C)C

Molecular Weight¹

369.28

Other Names

• L-Valine, N-heptafluorobutyryl-, isobutyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-2188.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.76	kJ/mol	Joback Calculated Property
ΔvapH°	71.85	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.303		Crippen Calculated Property
McVol	225.410	ml/mol	McGowan Calculated Property
Inp	[1307.00; 1344.00]
Inp	1307.00		NIST
Inp	1307.00		NIST
Inp	1344.00		NIST
Tboil	486.01	K	Relay (1.0) Calculated Property
Tfus	297.78	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[656.37; 725.62]	J/mol×K	[643.62; 806.59]
Cp,gas	656.37	J/mol×K	643.62	Joback Calculated Property
Cp,gas	669.86	J/mol×K	670.78	Joback Calculated Property
Cp,gas	682.53	J/mol×K	697.94	Joback Calculated Property
Cp,gas	694.39	J/mol×K	725.10	Joback Calculated Property
Cp,gas	705.50	J/mol×K	752.26	Joback Calculated Property
Cp,gas	715.90	J/mol×K	779.43	Joback Calculated Property
Cp,gas	725.62	J/mol×K	806.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-heptafluorobutyryl-, n-butyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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