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

InChI

InChI=1S/C19H18FNO6/c1-2-3-4-10-26-18(22)13-6-5-7-14(11-13)19(23)27-17-12-15(20)8-9-16(17)21(24)25/h5-9,11-12H,2-4,10H2,1H3

InChI Key

SMXUSYHMILNKBU-UHFFFAOYSA-N

Formula

C19H18FNO6

SMILES

CCCCCOC(=O)c1cccc(C(=O)Oc2cc(F)ccc2[N+](=O)[O-])c1

Molecular Weight¹

375.35

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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
ω	1.0161		Relay (1.0) Calculated Property
ΔfusH°	55.06	kJ/mol	Joback Calculated Property
log10WS	-5.99		Relay (1.0) Calculated Property
logPoct/wat	4.300		Crippen Calculated Property
McVol	265.120	ml/mol	McGowan Calculated Property
Pc	1668.70	kPa	Joback Calculated Property
Inp	[2849.00; 2849.00]
Inp	2849.00		NIST
Inp	2849.00		NIST
Tboil	664.52	K	Relay (1.0) Calculated Property
Tc	955.80	K	Relay (1.0) Calculated Property
Tfus	307.53	K	Relay (1.0) Calculated Property
Vc	0.959	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[815.68; 850.86]	J/mol×K	[970.17; 1206.59]
Cp,gas	815.68	J/mol×K	970.17	Joback Calculated Property
Cp,gas	825.04	J/mol×K	1009.57	Joback Calculated Property
Cp,gas	832.95	J/mol×K	1048.98	Joback Calculated Property
Cp,gas	839.45	J/mol×K	1088.38	Joback Calculated Property
Cp,gas	844.58	J/mol×K	1127.78	Joback Calculated Property
Cp,gas	848.37	J/mol×K	1167.19	Joback Calculated Property
Cp,gas	850.86	J/mol×K	1206.59	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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