Chemical Properties of Sarcosine, n-pentafluoropropionyl-, isobutyl ester

InChI

InChI=1S/C10H14F5NO3/c1-6(2)5-19-7(17)4-16(3)8(18)9(11,12)10(13,14)15/h6H,4-5H2,1-3H3

InChI Key

XDOPAQNMLRSEOO-UHFFFAOYSA-N

Formula

C10H14F5NO3

SMILES

CC(C)COC(=O)CN(C)C(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

291.22

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	27.69	kJ/mol	Joback Calculated Property
ΔvapH°	61.63	kJ/mol	Relay (1.0) Calculated Property
IE	9.54	eV	Relay (1.0) Calculated Property
logPoct/wat	1.842		Crippen Calculated Property
McVol	179.600	ml/mol	McGowan Calculated Property
Pc	1905.24	kPa	Joback Calculated Property
Inp	[1249.00; 1249.00]
Inp	1249.00		NIST
Inp	1249.00		NIST
Tboil	469.86	K	Relay (1.0) Calculated Property
Tc	606.59	K	Relay (1.0) Calculated Property
Tfus	245.19	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[288.15; 609.22]	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			-4.29800e+00
Coefficient B			1.31146e+00
Coefficient C			-9.48300e-04
Coefficient D			2.50360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	288.15	J/mol×K	273.00	Calculated Property
Cp,gas	352.06	J/mol×K	353.78	Calculated Property
Cp,gas	407.07	J/mol×K	434.56	Calculated Property
Cp,gas	453.97	J/mol×K	515.33	Calculated Property
Cp,gas	493.53	J/mol×K	596.11	Calculated Property
Cp,gas	526.57	J/mol×K	676.89	Calculated Property
Cp,gas	553.86	J/mol×K	757.67	Calculated Property
Cp,gas	576.21	J/mol×K	838.44	Calculated Property
Cp,gas	594.40	J/mol×K	919.22	Calculated Property
Cp,gas	609.22	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, n-pentafluoropropionyl-, isobutyl ester.

Sources

• Cheméo Relay (1.0)
• 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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