Chemical Properties of Sarcosine, N-(2-fluorobenzoyl)-, isohexyl ester

InChI

InChI=1S/C16H22FNO3/c1-12(2)7-6-10-21-15(19)11-18(3)16(20)13-8-4-5-9-14(13)17/h4-5,8-9,12H,6-7,10-11H2,1-3H3

InChI Key

PINQMOVQVPGXRE-UHFFFAOYSA-N

Formula

C16H22FNO3

SMILES

CC(C)CCCOC(=O)CN(C)C(=O)c1ccccc1F

Molecular Weight¹

295.35

• 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	0.7596		Relay (1.0) Calculated Property
ΔfG°	-262.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-753.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.81	kJ/mol	Joback Calculated Property
ΔvapH°	87.56	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-3.74		Relay (1.0) Calculated Property
logPoct/wat	2.877		Crippen Calculated Property
McVol	233.300	ml/mol	McGowan Calculated Property
Pc	1783.35	kPa	Joback Calculated Property
Inp	[2122.00; 2122.00]
Inp	2122.00		NIST
Inp	2122.00		NIST
Tboil	605.78	K	Relay (1.0) Calculated Property
Tc	809.90	K	Relay (1.0) Calculated Property
Tfus	305.54	K	Relay (1.0) Calculated Property
Vc	0.851	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[669.25; 746.78]	J/mol×K	[738.57; 935.79]
Cp,gas	669.25	J/mol×K	738.57	Joback Calculated Property
Cp,gas	684.49	J/mol×K	771.44	Joback Calculated Property
Cp,gas	698.76	J/mol×K	804.31	Joback Calculated Property
Cp,gas	712.09	J/mol×K	837.18	Joback Calculated Property
Cp,gas	724.52	J/mol×K	870.05	Joback Calculated Property
Cp,gas	736.07	J/mol×K	902.92	Joback Calculated Property
Cp,gas	746.78	J/mol×K	935.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(2-fluorobenzoyl)-, isohexyl ester.

Sources

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

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