Chemical Properties of Sarcosine, N-(2,6-difluorobenzoyl)-, nonyl ester

InChI

InChI=1S/C19H27F2NO3/c1-3-4-5-6-7-8-9-13-25-17(23)14-22(2)19(24)18-15(20)11-10-12-16(18)21/h10-12H,3-9,13-14H2,1-2H3

InChI Key

WLVAVMFHHVHICE-UHFFFAOYSA-N

Formula

C19H27F2NO3

SMILES

CCCCCCCCCOC(=O)CN(C)C(=O)c1c(F)cccc1F

Molecular Weight¹

355.42

• 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	0.9400		Relay (1.0) Calculated Property
ΔfG°	-439.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-942.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.80	kJ/mol	Joback Calculated Property
ΔvapH°	99.29	kJ/mol	Relay (1.0) Calculated Property
IE	8.84	eV	Relay (1.0) Calculated Property
log10WS	-5.44		Relay (1.0) Calculated Property
logPoct/wat	4.331		Crippen Calculated Property
McVol	277.340	ml/mol	McGowan Calculated Property
Pc	1347.68	kPa	Joback Calculated Property
Inp	[2518.00; 2518.00]
Inp	2518.00		NIST
Inp	2518.00		NIST
Tboil	623.77	K	Relay (1.0) Calculated Property
Tc	834.79	K	Relay (1.0) Calculated Property
Tfus	321.29	K	Relay (1.0) Calculated Property
Vc	1.039	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[846.08; 924.59]	J/mol×K	[811.90; 1002.82]
Cp,gas	846.08	J/mol×K	811.90	Joback Calculated Property
Cp,gas	861.51	J/mol×K	843.72	Joback Calculated Property
Cp,gas	875.95	J/mol×K	875.54	Joback Calculated Property
Cp,gas	889.45	J/mol×K	907.36	Joback Calculated Property
Cp,gas	902.03	J/mol×K	939.18	Joback Calculated Property
Cp,gas	913.73	J/mol×K	971.00	Joback Calculated Property
Cp,gas	924.59	J/mol×K	1002.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(2,6-difluorobenzoyl)-, nonyl ester.

Sources

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

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