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

InChI

InChI=1S/C25H34F7NO3/c1-2-3-4-5-6-7-8-9-10-14-17-36-21(34)20(18-19-15-12-11-13-16-19)33-22(35)23(26,27)24(28,29)25(30,31)32/h11-13,15-16,20H,2-10,14,17-18H2,1H3,(H,33,35)

InChI Key

RSPXMXUFHOUQCC-UHFFFAOYSA-N

Formula

C25H34F7NO3

SMILES

CCCCCCCCCCCCOC(=O)C(Cc1ccccc1)NC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

529.53

• 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	1.0664		Relay (1.0) Calculated Property
ΔfG°	-1359.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-2178.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.83	kJ/mol	Joback Calculated Property
ΔvapH°	119.26	kJ/mol	Relay (1.0) Calculated Property
IE	9.43	eV	Relay (1.0) Calculated Property
log10WS	-7.72		Relay (1.0) Calculated Property
logPoct/wat	7.011		Crippen Calculated Property
McVol	370.730	ml/mol	McGowan Calculated Property
Pc	857.47	kPa	Joback Calculated Property
Inp	[2484.00; 2484.00]
Inp	2484.00		NIST
Inp	2484.00		NIST
Tboil	655.42	K	Relay (1.0) Calculated Property
Tc	812.84	K	Relay (1.0) Calculated Property
Tfus	324.11	K	Relay (1.0) Calculated Property
Vc	1.351	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1261.97; 1347.54]	J/mol×K	[963.17; 1182.84]
Cp,gas	1261.97	J/mol×K	963.17	Joback Calculated Property
Cp,gas	1278.35	J/mol×K	999.78	Joback Calculated Property
Cp,gas	1293.68	J/mol×K	1036.39	Joback Calculated Property
Cp,gas	1308.12	J/mol×K	1073.00	Joback Calculated Property
Cp,gas	1321.81	J/mol×K	1109.62	Joback Calculated Property
Cp,gas	1334.90	J/mol×K	1146.23	Joback Calculated Property
Cp,gas	1347.54	J/mol×K	1182.84	Joback Calculated Property

Similar Compounds

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

Sources

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

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