Chemical Properties of l-Phenylalanine, n-heptafluorobutyryl-, isohexyl ester

InChI

InChI=1S/C19H22F7NO3/c1-12(2)7-6-10-30-15(28)14(11-13-8-4-3-5-9-13)27-16(29)17(20,21)18(22,23)19(24,25)26/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3,(H,27,29)

InChI Key

UMLTWDDGQUGIAN-UHFFFAOYSA-N

Formula

C19H22F7NO3

SMILES

CC(C)CCCOC(=O)C(Cc1ccccc1)NC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

445.37

• 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).
• 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
ΔfG°	-1411.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-1912.45	kJ/mol	Joback Calculated Property
ΔfusH°	40.76	kJ/mol	Joback Calculated Property
ΔvapH°	72.12	kJ/mol	Joback Calculated Property
log10WS	-5.87		Crippen Calculated Property
logPoct/wat	4.526		Crippen Calculated Property
McVol	286.190	ml/mol	McGowan Calculated Property
Pc	1247.73	kPa	Joback Calculated Property
Inp	[1860.00; 1860.00]
Inp	1860.00		NIST
Inp	1860.00		NIST
Tboil	825.45	K	Joback Calculated Property
Tc	1016.77	K	Joback Calculated Property
Tfus	486.45	K	Joback Calculated Property
Vc	1.137	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[906.37; 974.37]	J/mol×K	[825.45; 1016.77]
Cp,gas	906.37	J/mol×K	825.45	Joback Calculated Property
Cp,gas	919.80	J/mol×K	857.34	Joback Calculated Property
Cp,gas	932.27	J/mol×K	889.22	Joback Calculated Property
Cp,gas	943.89	J/mol×K	921.11	Joback Calculated Property
Cp,gas	954.72	J/mol×K	953.00	Joback Calculated Property
Cp,gas	964.85	J/mol×K	984.88	Joback Calculated Property
Cp,gas	974.37	J/mol×K	1016.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Phenylalanine, n-heptafluorobutyryl-, isohexyl ester.

Sources

• 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.