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

InChI

InChI=1S/C9H12F5NO3/c1-3-4-18-6(16)5-15(2)7(17)8(10,11)9(12,13)14/h3-5H2,1-2H3

InChI Key

QETYKYOJQVUYGB-UHFFFAOYSA-N

Formula

C9H12F5NO3

SMILES

CCCOC(=O)CN(C)C(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

277.19

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1662.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.63	kJ/mol	Joback Calculated Property
ΔvapH°	59.72	kJ/mol	Relay (1.0) Calculated Property
IE	9.53	eV	Relay (1.0) Calculated Property
log10WS	-2.26		Relay (1.0) Calculated Property
logPoct/wat	1.596		Crippen Calculated Property
McVol	165.510	ml/mol	McGowan Calculated Property
Pc	2060.49	kPa	Joback Calculated Property
Inp	[1173.00; 1173.00]
Inp	1173.00		NIST
Inp	1173.00		NIST
Tboil	459.54	K	Relay (1.0) Calculated Property
Tc	591.34	K	Relay (1.0) Calculated Property
Tfus	235.33	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[420.50; 484.37]	J/mol×K	[519.94; 678.89]
Cp,gas	420.50	J/mol×K	519.94	Joback Calculated Property
Cp,gas	432.81	J/mol×K	546.43	Joback Calculated Property
Cp,gas	444.41	J/mol×K	572.92	Joback Calculated Property
Cp,gas	455.35	J/mol×K	599.42	Joback Calculated Property
Cp,gas	465.63	J/mol×K	625.91	Joback Calculated Property
Cp,gas	475.30	J/mol×K	652.40	Joback Calculated Property
Cp,gas	484.37	J/mol×K	678.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, n-pentafluoropropionyl-, propyl 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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