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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	27.26	kJ/mol	Joback 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

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[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

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.