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

InChI

InChI=1S/C27H46F7NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-38-23(36)22(19-21-39-2)35-24(37)25(28,29)26(30,31)27(32,33)34/h22H,3-21H2,1-2H3,(H,35,37)

InChI Key

JCPJZQWZKJKSCL-UHFFFAOYSA-N

Formula

C27H46F7NO3S

SMILES

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

Molecular Weight¹

597.71

• 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	1.2362		Relay (... Calculated Property
ΔfG°	-1421.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-2423.33	kJ/mol	Relay (... Calculated Property
ΔfusH°	75.10	kJ/mol	Joback Calculated Property
ΔvapH°	131.63	kJ/mol	Relay (... Calculated Property
IE	9.50	eV	Relay (... Calculated Property
log10WS	-8.61		Relay (... Calculated Property
logPoct/wat	8.862		Crippen Calculated Property
McVol	439.020	ml/mol	McGowan Calculated Property
Pc	650.44	kPa	Joback Calculated Property
Inp	[3041.00; 3041.00]
Inp	3041.00		NIST
Inp	3041.00		NIST
Tboil	677.35	K	Relay (... Calculated Property
Tc	812.62	K	Relay (... Calculated Property
Tfus	347.39	K	Relay (... Calculated Property
Vc	1.598	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1552.65; 1661.78]	J/mol×K	[1051.03; 1324.82]
Cp,gas	1552.65	J/mol×K	1051.03	Joback Calculated Property
Cp,gas	1573.87	J/mol×K	1096.66	Joback Calculated Property
Cp,gas	1593.51	J/mol×K	1142.29	Joback Calculated Property
Cp,gas	1611.85	J/mol×K	1187.93	Joback Calculated Property
Cp,gas	1629.16	J/mol×K	1233.56	Joback Calculated Property
Cp,gas	1645.71	J/mol×K	1279.19	Joback Calculated Property
Cp,gas	1661.78	J/mol×K	1324.82	Joback Calculated Property

Similar Compounds

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

Sources

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

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