Chemical Properties of Sebacic acid, ethyl 3-nitro-4-fluorobenzyl ester

InChI

InChI=1S/C19H26FNO6/c1-2-26-18(22)9-7-5-3-4-6-8-10-19(23)27-14-15-11-12-16(20)17(13-15)21(24)25/h11-13H,2-10,14H2,1H3

InChI Key

OFVOAQRKGNGTTG-UHFFFAOYSA-N

Formula

C19H26FNO6

SMILES

CCOC(=O)CCCCCCCCC(=O)OCc1ccc(F)c([N+](=O)[O-])c1

Molecular Weight¹

383.41

• 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	1.0810		Relay (1.0) Calculated Property
ΔfG°	-424.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-1003.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.24	kJ/mol	Joback Calculated Property
ΔvapH°	112.49	kJ/mol	Relay (1.0) Calculated Property
IE	9.13	eV	Relay (1.0) Calculated Property
log10WS	-5.46		Relay (1.0) Calculated Property
logPoct/wat	4.461		Crippen Calculated Property
McVol	288.880	ml/mol	McGowan Calculated Property
Pc	1390.22	kPa	Joback Calculated Property
Inp	[2789.00; 2789.00]
Inp	2789.00		NIST
Inp	2789.00		NIST
Tboil	644.95	K	Relay (1.0) Calculated Property
Tc	883.73	K	Relay (1.0) Calculated Property
Tfus	312.98	K	Relay (1.0) Calculated Property
Vc	1.064	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[934.80; 988.38]	J/mol×K	[974.45; 1196.30]
Cp,gas	934.80	J/mol×K	974.45	Joback Calculated Property
Cp,gas	946.88	J/mol×K	1011.43	Joback Calculated Property
Cp,gas	957.67	J/mol×K	1048.40	Joback Calculated Property
Cp,gas	967.19	J/mol×K	1085.38	Joback Calculated Property
Cp,gas	975.46	J/mol×K	1122.35	Joback Calculated Property
Cp,gas	982.51	J/mol×K	1159.33	Joback Calculated Property
Cp,gas	988.38	J/mol×K	1196.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, ethyl 3-nitro-4-fluorobenzyl ester.

Sources

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

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