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

Isophthalic acid, butyl 2-nitro-5-fluorophenyl ester

InChI
InChI=1S/C18H16FNO6/c1-2-3-9-25-17(21)12-5-4-6-13(10-12)18(22)26-16-11-14(19)7-8-15(16)20(23)24/h4-8,10-11H,2-3,9H2,1H3
InChI Key
QBUGJNLRCFEPNO-UHFFFAOYSA-N
Formula
C18H16FNO6
SMILES
CCCCOC(=O)c1cccc(C(=O)Oc2cc(F)ccc2[N+](=O)[O-])c1
Molecular Weight1
361.32
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Physical Properties

Property Value Unit Source
ω 0.9706 Relay (1.0) Calculated Property
ΔfusH° 52.47 kJ/mol Joback Calculated Property
log10WS -5.64 Relay (1.0) Calculated Property
logPoct/wat 3.910 Crippen Calculated Property
McVol 251.030 ml/mol McGowan Calculated Property
Pc 1807.70 kPa Joback Calculated Property
Inp [2749.00; 2749.00]   Show Hide
Inp 2749.00 NIST
Inp 2749.00 NIST
Tboil 657.15 K Relay (1.0) Calculated Property
Tc 946.99 K Relay (1.0) Calculated Property
Tfus 306.09 K Relay (1.0) Calculated Property
Vc 0.906 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 [759.19; 794.57] J/mol×K [947.29; 1184.95] Show Hide
Cp,gas 759.19 J/mol×K 947.29 Joback Calculated Property
Cp,gas 768.54 J/mol×K 986.90 Joback Calculated Property
Cp,gas 776.46 J/mol×K 1026.51 Joback Calculated Property
Cp,gas 782.99 J/mol×K 1066.12 Joback Calculated Property
Cp,gas 788.16 J/mol×K 1105.73 Joback Calculated Property
Cp,gas 792.01 J/mol×K 1145.34 Joback Calculated Property
Cp,gas 794.57 J/mol×K 1184.95 Joback Calculated Property

Similar Compounds

Isophthalic acid, 2-nitro-5-fluorophenyl pentyl ester. Isophthalic acid, hexyl 2-nitro-5-fluorophenyl ester. Isophthalic acid, 2-nitro-5-fluorophenyl propyl ester. Isophthalic acid, 2-nitro-5-fluorophenyl nonyl ester. Isophthalic acid, heptyl 2-nitro-5-fluorophenyl ester. Isophthalic acid, 2-nitro-5-fluorophenyl octyl ester. Isophthalic acid, isobutyl 2-nitro-5-fluorophenyl ester. Isophthalic acid, isohexyl 2-nitro-5-fluorophenyl ester. Isophthalic acid, ethyl 2-nitro-5-fluorophenyl ester. Isophthalic acid, hexyl 4-nitrophenyl ester. Isophthalic acid, 4-nitrophenyl pentyl ester. Isophthalic acid, 4-nitrophenyl octyl ester. Isophthalic acid, heptyl 4-nitrophenyl ester. Isophthalic acid, butyl 3-fluorophenyl ester. Isophthalic acid, isohexyl 4-nitrophenyl ester.

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

Sources

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