Chemical Properties of serine, trifluoroacetyl-isopropyl ester

InChI

InChI=1S/C10H11F6NO5/c1-4(2)22-6(18)5(17-7(19)9(11,12)13)3-21-8(20)10(14,15)16/h4-5H,3H2,1-2H3,(H,17,19)

InChI Key

AAADJZHJPLWCSI-UHFFFAOYSA-N

Formula

C10H11F6NO5

SMILES

CC(C)OC(=O)C(COC(=O)C(F)(F)F)NC(=O)C(F)(F)F

Molecular Weight¹

339.19

• 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°	33.70	kJ/mol	Joback Calculated Property
logPoct/wat	1.091		Crippen Calculated Property
McVol	188.810	ml/mol	McGowan Calculated Property
Inp	[1175.00; 1175.00]
Inp	1175.00		NIST
Inp	1175.00		NIST
Tboil	466.59	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	[313.05; 623.80]	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			3.50010e+01
Coefficient B			1.22664e+00
Coefficient C			-8.09300e-04
Coefficient D			1.71460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	313.05	J/mol×K	273.00	Calculated Property
Cp,gas	375.26	J/mol×K	353.78	Calculated Property
Cp,gas	429.29	J/mol×K	434.56	Calculated Property
Cp,gas	475.67	J/mol×K	515.33	Calculated Property
Cp,gas	514.95	J/mol×K	596.11	Calculated Property
Cp,gas	547.67	J/mol×K	676.89	Calculated Property
Cp,gas	574.38	J/mol×K	757.67	Calculated Property
Cp,gas	595.60	J/mol×K	838.44	Calculated Property
Cp,gas	611.90	J/mol×K	919.22	Calculated Property
Cp,gas	623.80	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to serine, trifluoroacetyl-isopropyl 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.
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