Chemical Properties of Sarcosine, N-(4-fluorobenzoyl)-, octyl ester

InChI

InChI=1S/C18H26FNO3/c1-3-4-5-6-7-8-13-23-17(21)14-20(2)18(22)15-9-11-16(19)12-10-15/h9-12H,3-8,13-14H2,1-2H3

InChI Key

VEOHEGKOGHAFGJ-UHFFFAOYSA-N

Formula

C18H26FNO3

SMILES

CCCCCCCCOC(=O)CN(C)C(=O)c1ccc(F)cc1

Molecular Weight¹

323.40

• 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	0.8868		Relay (1.0) Calculated Property
ΔfG°	-243.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-781.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.51	kJ/mol	Joback Calculated Property
ΔvapH°	97.37	kJ/mol	Relay (1.0) Calculated Property
IE	8.70	eV	Relay (1.0) Calculated Property
log10WS	-4.75		Relay (1.0) Calculated Property
logPoct/wat	3.801		Crippen Calculated Property
McVol	261.480	ml/mol	McGowan Calculated Property
Pc	1516.39	kPa	Joback Calculated Property
Inp	[2366.00; 2366.00]
Inp	2366.00		NIST
Inp	2366.00		NIST
Tboil	632.11	K	Relay (1.0) Calculated Property
Tc	826.74	K	Relay (1.0) Calculated Property
Tfus	303.80	K	Relay (1.0) Calculated Property
Vc	0.973	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[781.43; 861.07]	J/mol×K	[784.77; 978.29]
Cp,gas	781.43	J/mol×K	784.77	Joback Calculated Property
Cp,gas	797.05	J/mol×K	817.02	Joback Calculated Property
Cp,gas	811.69	J/mol×K	849.28	Joback Calculated Property
Cp,gas	825.37	J/mol×K	881.53	Joback Calculated Property
Cp,gas	838.14	J/mol×K	913.78	Joback Calculated Property
Cp,gas	850.03	J/mol×K	946.03	Joback Calculated Property
Cp,gas	861.07	J/mol×K	978.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(4-fluorobenzoyl)-, octyl ester.

Sources

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

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