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

InChI

InChI=1S/C21H34F7NO3S/c1-3-4-5-6-7-8-9-10-11-12-14-32-17(30)16(13-15-33-2)29-18(31)19(22,23)20(24,25)21(26,27)28/h16H,3-15H2,1-2H3,(H,29,31)

InChI Key

NVUPBDDUMSGWCO-UHFFFAOYSA-N

Formula

C21H34F7NO3S

SMILES

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

Molecular Weight¹

513.55

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	61.14	kJ/mol	Joback Calculated Property
logPoct/wat	6.521		Crippen Calculated Property
McVol	354.480	ml/mol	McGowan Calculated Property
Inp	[2375.00; 2375.00]
Inp	2375.00		NIST
Inp	2375.00		NIST
Tboil	627.94	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[557.62; 1217.78]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.49300e+00
Coefficient B			2.45253e+00
Coefficient C			-1.64710e-03
Coefficient D			4.09860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	557.62	J/mol×K	273.00	Calculated Property
Cp,gas	682.14	J/mol×K	353.78	Calculated Property
Cp,gas	790.85	J/mol×K	434.56	Calculated Property
Cp,gas	885.04	J/mol×K	515.33	Calculated Property
Cp,gas	966.00	J/mol×K	596.11	Calculated Property
Cp,gas	1035.03	J/mol×K	676.89	Calculated Property
Cp,gas	1093.43	J/mol×K	757.67	Calculated Property
Cp,gas	1142.49	J/mol×K	838.44	Calculated Property
Cp,gas	1183.51	J/mol×K	919.22	Calculated Property
Cp,gas	1217.78	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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