Chemical Properties of Pimelic acid, 2-nitro-5-fluorophenyl pentyl ester

InChI

InChI=1S/C18H24FNO6/c1-2-3-7-12-25-17(21)8-5-4-6-9-18(22)26-16-13-14(19)10-11-15(16)20(23)24/h10-11,13H,2-9,12H2,1H3

InChI Key

GHYGYEPVQJMJGP-UHFFFAOYSA-N

Formula

C18H24FNO6

SMILES

CCCCCOC(=O)CCCCCC(=O)Oc1cc(F)ccc1[N+](=O)[O-]

Molecular Weight¹

369.38

• 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°	-433.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-897.73	kJ/mol	Joback Calculated Property
ΔfusH°	55.65	kJ/mol	Joback Calculated Property
ΔvapH°	93.35	kJ/mol	Joback Calculated Property
log10WS	-5.82		Crippen Calculated Property
logPoct/wat	4.323		Crippen Calculated Property
McVol	274.790	ml/mol	McGowan Calculated Property
Pc	1495.35	kPa	Joback Calculated Property
Inp	[2641.00; 2641.00]
Inp	2641.00		NIST
Inp	2641.00		NIST
Tboil	951.57	K	Joback Calculated Property
Tc	1171.31	K	Joback Calculated Property
Tfus	632.60	K	Joback Calculated Property
Vc	1.083	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[876.18; 929.69]	J/mol×K	[951.57; 1171.31]
Cp,gas	876.18	J/mol×K	951.57	Joback Calculated Property
Cp,gas	888.12	J/mol×K	988.19	Joback Calculated Property
Cp,gas	898.82	J/mol×K	1024.82	Joback Calculated Property
Cp,gas	908.30	J/mol×K	1061.44	Joback Calculated Property
Cp,gas	916.59	J/mol×K	1098.06	Joback Calculated Property
Cp,gas	923.72	J/mol×K	1134.69	Joback Calculated Property
Cp,gas	929.69	J/mol×K	1171.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pimelic acid, 2-nitro-5-fluorophenyl pentyl ester.

Sources

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

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