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

InChI

InChI=1S/C16H20FNO6/c1-2-10-23-15(19)6-4-3-5-7-16(20)24-14-11-12(17)8-9-13(14)18(21)22/h8-9,11H,2-7,10H2,1H3

InChI Key

HPDIIJZPQXHANU-UHFFFAOYSA-N

Formula

C16H20FNO6

SMILES

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

Molecular Weight¹

341.33

• 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°	-450.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-856.45	kJ/mol	Joback Calculated Property
ΔfusH°	50.47	kJ/mol	Joback Calculated Property
ΔvapH°	88.90	kJ/mol	Joback Calculated Property
log10WS	-4.98		Crippen Calculated Property
logPoct/wat	3.543		Crippen Calculated Property
McVol	246.610	ml/mol	McGowan Calculated Property
Pc	1744.82	kPa	Joback Calculated Property
Inp	[2402.00; 2402.00]
Inp	2402.00		NIST
Inp	2402.00		NIST
Tboil	905.81	K	Joback Calculated Property
Tc	1123.91	K	Joback Calculated Property
Tfus	610.06	K	Joback Calculated Property
Vc	0.972	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[760.78; 813.66]	J/mol×K	[905.81; 1123.91]
Cp,gas	760.78	J/mol×K	905.81	Joback Calculated Property
Cp,gas	772.39	J/mol×K	942.16	Joback Calculated Property
Cp,gas	782.86	J/mol×K	978.51	Joback Calculated Property
Cp,gas	792.20	J/mol×K	1014.86	Joback Calculated Property
Cp,gas	800.44	J/mol×K	1051.21	Joback Calculated Property
Cp,gas	807.59	J/mol×K	1087.56	Joback Calculated Property
Cp,gas	813.66	J/mol×K	1123.91	Joback Calculated Property

Similar Compounds

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

Sources

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

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