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

InChI

InChI=1S/C18H22F5NO3/c1-3-4-5-6-7-8-9-27-11(25)10-24(2)18(26)12-13(19)15(21)17(23)16(22)14(12)20/h3-10H2,1-2H3

InChI Key

RNHUKAGPDAEJGV-UHFFFAOYSA-N

Formula

C18H22F5NO3

SMILES

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

Molecular Weight¹

395.36

• 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	0.9513		Relay (1.0) Calculated Property
ΔfG°	-1061.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-1357.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.28	kJ/mol	Joback Calculated Property
ΔvapH°	93.75	kJ/mol	Relay (1.0) Calculated Property
IE	9.09	eV	Relay (1.0) Calculated Property
log10WS	-6.53		Relay (1.0) Calculated Property
logPoct/wat	4.358		Crippen Calculated Property
McVol	268.560	ml/mol	McGowan Calculated Property
Pc	1268.25	kPa	Joback Calculated Property
Inp	[2164.00; 2164.00]
Inp	2164.00		NIST
Inp	2164.00		NIST
Tboil	605.72	K	Relay (1.0) Calculated Property
Tc	794.51	K	Relay (1.0) Calculated Property
Tfus	320.60	K	Relay (1.0) Calculated Property
Vc	1.011	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[808.80; 879.59]	J/mol×K	[801.77; 984.86]
Cp,gas	808.80	J/mol×K	801.77	Joback Calculated Property
Cp,gas	822.67	J/mol×K	832.29	Joback Calculated Property
Cp,gas	835.69	J/mol×K	862.80	Joback Calculated Property
Cp,gas	847.87	J/mol×K	893.32	Joback Calculated Property
Cp,gas	859.24	J/mol×K	923.83	Joback Calculated Property
Cp,gas	869.81	J/mol×K	954.35	Joback Calculated Property
Cp,gas	879.59	J/mol×K	984.86	Joback Calculated Property

Similar Compounds

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

Sources

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

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