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

InChI

InChI=1S/C15H22F7NO3S/c1-9(2)5-4-7-26-11(24)10(6-8-27-3)23-12(25)13(16,17)14(18,19)15(20,21)22/h9-10H,4-8H2,1-3H3,(H,23,25)

InChI Key

PPYXFSQWZOAGNC-UHFFFAOYSA-N

Formula

C15H22F7NO3S

SMILES

CSCCC(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OCCCC(C)C

Molecular Weight¹

429.39

• 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	0.7631		Relay (... Calculated Property
ΔfG°	-1524.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-2209.53	kJ/mol	Relay (... Calculated Property
ΔfusH°	40.49	kJ/mol	Joback Calculated Property
ΔvapH°	83.35	kJ/mol	Relay (... Calculated Property
IE	9.29	eV	Relay (... Calculated Property
log10WS	-5.05		Relay (... Calculated Property
logPoct/wat	4.037		Crippen Calculated Property
McVol	269.940	ml/mol	McGowan Calculated Property
Pc	1311.80	kPa	Joback Calculated Property
Inp	[1760.00; 1760.00]
Inp	1760.00		NIST
Inp	1760.00		NIST
Tboil	563.17	K	Relay (... Calculated Property
Tc	703.85	K	Relay (... Calculated Property
Tfus	314.40	K	Relay (... Calculated Property
Vc	0.951	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[829.61; 896.31]	J/mol×K	[776.03; 957.75]
Cp,gas	829.61	J/mol×K	776.03	Joback Calculated Property
Cp,gas	842.78	J/mol×K	806.32	Joback Calculated Property
Cp,gas	855.05	J/mol×K	836.60	Joback Calculated Property
Cp,gas	866.49	J/mol×K	866.89	Joback Calculated Property
Cp,gas	877.14	J/mol×K	897.18	Joback Calculated Property
Cp,gas	887.06	J/mol×K	927.47	Joback Calculated Property
Cp,gas	896.31	J/mol×K	957.75	Joback Calculated Property

Similar Compounds

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

Sources

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

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