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

InChI

InChI=1S/C20H29F2NO3/c1-3-4-5-6-7-8-9-10-14-26-18(24)15-23(2)20(25)19-16(21)12-11-13-17(19)22/h11-13H,3-10,14-15H2,1-2H3

InChI Key

UXGQDCDYVBEVGD-UHFFFAOYSA-N

Formula

C20H29F2NO3

SMILES

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

Molecular Weight¹

369.45

• 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	0.9777		Relay (1.0) Calculated Property
ΔfG°	-431.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-963.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.39	kJ/mol	Joback Calculated Property
ΔvapH°	103.43	kJ/mol	Relay (1.0) Calculated Property
IE	8.86	eV	Relay (1.0) Calculated Property
log10WS	-5.76		Relay (1.0) Calculated Property
logPoct/wat	4.721		Crippen Calculated Property
McVol	291.430	ml/mol	McGowan Calculated Property
Pc	1257.48	kPa	Joback Calculated Property
Inp	[2618.00; 2618.00]
Inp	2618.00		NIST
Inp	2618.00		NIST
Tboil	631.06	K	Relay (1.0) Calculated Property
Tc	843.21	K	Relay (1.0) Calculated Property
Tfus	323.70	K	Relay (1.0) Calculated Property
Vc	1.093	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[904.68; 984.61]	J/mol×K	[834.78; 1027.47]
Cp,gas	904.68	J/mol×K	834.78	Joback Calculated Property
Cp,gas	920.44	J/mol×K	866.89	Joback Calculated Property
Cp,gas	935.17	J/mol×K	899.01	Joback Calculated Property
Cp,gas	948.92	J/mol×K	931.12	Joback Calculated Property
Cp,gas	961.72	J/mol×K	963.24	Joback Calculated Property
Cp,gas	973.60	J/mol×K	995.35	Joback Calculated Property
Cp,gas	984.61	J/mol×K	1027.47	Joback Calculated Property

Similar Compounds

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

Sources

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

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