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

InChI

InChI=1S/C17H20F5NO3/c1-3-4-5-6-7-8-26-10(24)9-23(2)17(25)11-12(18)14(20)16(22)15(21)13(11)19/h3-9H2,1-2H3

InChI Key

JLWNPXMJESJVIE-UHFFFAOYSA-N

Formula

C17H20F5NO3

SMILES

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

Molecular Weight¹

381.34

• 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	0.9128		Relay (1.0) Calculated Property
ΔfG°	-1069.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-1338.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.69	kJ/mol	Joback Calculated Property
ΔvapH°	90.28	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-6.19		Relay (1.0) Calculated Property
logPoct/wat	3.968		Crippen Calculated Property
McVol	254.470	ml/mol	McGowan Calculated Property
Pc	1359.63	kPa	Joback Calculated Property
Inp	[2067.00; 2067.00]
Inp	2067.00		NIST
Inp	2067.00		NIST
Tboil	596.18	K	Relay (1.0) Calculated Property
Tc	784.87	K	Relay (1.0) Calculated Property
Tfus	318.03	K	Relay (1.0) Calculated Property
Vc	0.956	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[752.12; 820.84]	J/mol×K	[778.89; 959.50]
Cp,gas	752.12	J/mol×K	778.89	Joback Calculated Property
Cp,gas	765.51	J/mol×K	808.99	Joback Calculated Property
Cp,gas	778.11	J/mol×K	839.09	Joback Calculated Property
Cp,gas	789.93	J/mol×K	869.20	Joback Calculated Property
Cp,gas	800.98	J/mol×K	899.30	Joback Calculated Property
Cp,gas	811.28	J/mol×K	929.40	Joback Calculated Property
Cp,gas	820.84	J/mol×K	959.50	Joback Calculated Property

Similar Compounds

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

Sources

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

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