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

• 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	0.6046		Relay (1.0) Calculated Property
ΔfG°	-1189.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-1699.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.11	kJ/mol	Joback Calculated Property
ΔvapH°	60.46	kJ/mol	Relay (1.0) Calculated Property
IE	9.54	eV	Relay (1.0) Calculated Property
log10WS	-2.62		Relay (1.0) Calculated Property
logPoct/wat	1.842		Crippen Calculated Property
McVol	179.600	ml/mol	McGowan Calculated Property
Pc	1975.31	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	602.37	K	Relay (1.0) Calculated Property
Tfus	247.07	K	Relay (1.0) Calculated Property
Vc	0.668	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[473.71; 540.08]	J/mol×K	[560.25; 724.03]
Cp,gas	473.71	J/mol×K	560.25	Joback Calculated Property
Cp,gas	486.48	J/mol×K	587.55	Joback Calculated Property
Cp,gas	498.52	J/mol×K	614.84	Joback Calculated Property
Cp,gas	509.87	J/mol×K	642.14	Joback Calculated Property
Cp,gas	520.57	J/mol×K	669.44	Joback Calculated Property
Cp,gas	530.63	J/mol×K	696.74	Joback Calculated Property
Cp,gas	540.08	J/mol×K	724.03	Joback 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

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