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

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

InChI
InChI=1S/C17H14FNO6/c1-2-8-24-16(20)11-4-3-5-12(9-11)17(21)25-15-10-13(18)6-7-14(15)19(22)23/h3-7,9-10H,2,8H2,1H3
InChI Key
IJDVRCLUDMZETB-UHFFFAOYSA-N
Formula
C17H14FNO6
SMILES
CCCOC(=O)c1cccc(C(=O)Oc2cc(F)ccc2[N+](=O)[O-])c1
Molecular Weight1
347.29
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Physical Properties

Property Value Unit Source
ΔfusH° 49.88 kJ/mol Joback Calculated Property
log10WS -5.38 Relay (1.0) Calculated Property
logPoct/wat 3.520 Crippen Calculated Property
McVol 236.940 ml/mol McGowan Calculated Property
Pc 1964.82 kPa Joback Calculated Property
Inp [2647.00; 2647.00]   Show Hide
Inp 2647.00 NIST
Inp 2647.00 NIST
Tboil 652.35 K Relay (1.0) Calculated Property
Tfus 321.03 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 [703.30; 738.65] J/mol×K [924.41; 1164.10] Show Hide
Cp,gas 703.30 J/mol×K 924.41 Joback Calculated Property
Cp,gas 712.61 J/mol×K 964.36 Joback Calculated Property
Cp,gas 720.51 J/mol×K 1004.31 Joback Calculated Property
Cp,gas 727.03 J/mol×K 1044.26 Joback Calculated Property
Cp,gas 732.21 J/mol×K 1084.21 Joback Calculated Property
Cp,gas 736.07 J/mol×K 1124.15 Joback Calculated Property
Cp,gas 738.65 J/mol×K 1164.10 Joback Calculated Property

Similar Compounds

Isophthalic acid, butyl 2-nitro-5-fluorophenyl ester. Isophthalic acid, isobutyl 2-nitro-5-fluorophenyl ester. Isophthalic acid, ethyl 2-nitro-5-fluorophenyl ester. Isophthalic acid, 2-nitro-5-fluorophenyl pentyl ester. Isophthalic acid, hexyl 2-nitro-5-fluorophenyl ester. Isophthalic acid, heptyl 2-nitro-5-fluorophenyl ester. Isophthalic acid, 2-nitro-5-fluorophenyl octyl ester. Isophthalic acid, 2-nitro-5-fluorophenyl nonyl ester. Isophthalic acid, isohexyl 2-nitro-5-fluorophenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester. 2,5-Difluorobenzoic acid, 2-nitro-5-fluorophenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 2-nitro-5-fluorophenyl ester. m-Methoxybenzoic acid, 5-fluoro-2-nitrophenyl ester.

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

Sources

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