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

InChI

InChI=1S/C24H36FNO6/c1-2-3-4-9-12-17-31-23(27)13-10-7-5-6-8-11-14-24(28)32-19-20-15-16-21(25)22(18-20)26(29)30/h15-16,18H,2-14,17,19H2,1H3

InChI Key

WRKXYNGOCDVQKM-UHFFFAOYSA-N

Formula

C24H36FNO6

SMILES

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

Molecular Weight¹

453.54

• 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).
• 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
ΔfG°	-382.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-1021.57	kJ/mol	Joback Calculated Property
ΔfusH°	71.19	kJ/mol	Joback Calculated Property
ΔvapH°	106.70	kJ/mol	Joback Calculated Property
log10WS	-8.17		Crippen Calculated Property
logPoct/wat	6.411		Crippen Calculated Property
McVol	359.330	ml/mol	McGowan Calculated Property
Pc	1000.18	kPa	Joback Calculated Property
Inp	[3244.00; 3244.00]
Inp	3244.00		NIST
Inp	3244.00		NIST
Tboil	1088.85	K	Joback Calculated Property
Tc	1336.67	K	Joback Calculated Property
Tfus	700.22	K	Joback Calculated Property
Vc	1.419	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1235.00; 1286.78]	J/mol×K	[1088.85; 1336.67]
Cp,gas	1235.00	J/mol×K	1088.85	Joback Calculated Property
Cp,gas	1247.80	J/mol×K	1130.15	Joback Calculated Property
Cp,gas	1258.85	J/mol×K	1171.46	Joback Calculated Property
Cp,gas	1268.21	J/mol×K	1212.76	Joback Calculated Property
Cp,gas	1275.94	J/mol×K	1254.07	Joback Calculated Property
Cp,gas	1282.11	J/mol×K	1295.37	Joback Calculated Property
Cp,gas	1286.78	J/mol×K	1336.67	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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