Chemical Properties of l-Methionine, n-heptafluorobutyryl-, heptadecyl ester

InChI

InChI=1S/C26H44F7NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-37-22(35)21(18-20-38-2)34-23(36)24(27,28)25(29,30)26(31,32)33/h21H,3-20H2,1-2H3,(H,34,36)

InChI Key

DYRIRNRDMTWMNS-UHFFFAOYSA-N

Formula

C26H44F7NO3S

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C(CCSC)NC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

583.69

• 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°	-1429.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-2246.31	kJ/mol	Joback Calculated Property
ΔfusH°	72.51	kJ/mol	Joback Calculated Property
ΔvapH°	92.63	kJ/mol	Joback Calculated Property
log10WS	-9.82		Crippen Calculated Property
logPoct/wat	8.472		Crippen Calculated Property
McVol	424.930	ml/mol	McGowan Calculated Property
Pc	683.50	kPa	Joback Calculated Property
Inp	[2892.00; 2892.00]
Inp	2892.00		NIST
Inp	2892.00		NIST
Tboil	1028.15	K	Joback Calculated Property
Tc	1287.17	K	Joback Calculated Property
Tfus	588.32	K	Joback Calculated Property
Vc	1.698	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1489.15; 1591.93]	J/mol×K	[1028.15; 1287.17]
Cp,gas	1489.15	J/mol×K	1028.15	Joback Calculated Property
Cp,gas	1509.24	J/mol×K	1071.32	Joback Calculated Property
Cp,gas	1527.84	J/mol×K	1114.49	Joback Calculated Property
Cp,gas	1545.19	J/mol×K	1157.66	Joback Calculated Property
Cp,gas	1561.51	J/mol×K	1200.83	Joback Calculated Property
Cp,gas	1577.01	J/mol×K	1244.00	Joback Calculated Property
Cp,gas	1591.93	J/mol×K	1287.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Methionine, n-heptafluorobutyryl-, heptadecyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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