Chemical Properties of Sarcosine, n-pentafluorobenzoyl-, pentyl ester

InChI

InChI=1S/C15H16F5NO3/c1-3-4-5-6-24-8(22)7-21(2)15(23)9-10(16)12(18)14(20)13(19)11(9)17/h3-7H2,1-2H3

InChI Key

GJJHWKNRAVEFLG-UHFFFAOYSA-N

Formula

C15H16F5NO3

SMILES

CCCCCOC(=O)CN(C)C(=O)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

353.28

• 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	0.8353		Relay (1.0) Calculated Property
ΔfG°	-1086.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-1301.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.51	kJ/mol	Joback Calculated Property
ΔvapH°	83.42	kJ/mol	Relay (1.0) Calculated Property
IE	9.21	eV	Relay (1.0) Calculated Property
log10WS	-5.46		Relay (1.0) Calculated Property
logPoct/wat	3.188		Crippen Calculated Property
McVol	226.290	ml/mol	McGowan Calculated Property
Pc	1574.70	kPa	Joback Calculated Property
Inp	[1872.00; 1872.00]
Inp	1872.00		NIST
Inp	1872.00		NIST
Tboil	574.31	K	Relay (1.0) Calculated Property
Tc	764.37	K	Relay (1.0) Calculated Property
Tfus	313.80	K	Relay (1.0) Calculated Property
Vc	0.847	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[641.84; 706.03]	J/mol×K	[733.13; 910.76]
Cp,gas	641.84	J/mol×K	733.13	Joback Calculated Property
Cp,gas	654.24	J/mol×K	762.73	Joback Calculated Property
Cp,gas	665.94	J/mol×K	792.34	Joback Calculated Property
Cp,gas	676.97	J/mol×K	821.94	Joback Calculated Property
Cp,gas	687.32	J/mol×K	851.55	Joback Calculated Property
Cp,gas	697.00	J/mol×K	881.15	Joback Calculated Property
Cp,gas	706.03	J/mol×K	910.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, n-pentafluorobenzoyl-, pentyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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