Chemical Properties of Benzoic acid, 4-nitro, 1,2-dimethylpropyl ester

Benzoic acid, 4-nitro, 1,2-dimethylpropyl ester

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InChI
InChI=1S/C12H15NO4/c1-8(2)9(3)17-12(14)10-4-6-11(7-5-10)13(15)16/h4-9H,1-3H3
InChI Key
LYLZAGFMDOUGKM-UHFFFAOYSA-N
Formula
C12H15NO4
SMILES
CC(C)C(C)OC(=O)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
237.25
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Physical Properties

Property Value Unit Source
Δf -50.31 kJ/mol Joback Calculated Property
Δfgas -332.07 kJ/mol Joback Calculated Property
Δfus 27.59 kJ/mol Joback Calculated Property
Δvap 70.22 kJ/mol Joback Calculated Property
log10WS -3.91 Crippen Calculated Property
logPoct/wat 2.796 Crippen Calculated Property
McVol 181.040 ml/mol McGowan Calculated Property
Pc 2550.76 kPa Joback Calculated Property
Inp [1705.00; 1726.00]   Show Hide
Inp 1705.00 NIST
Inp 1710.00 NIST
Inp 1726.00 NIST
Inp 1708.00 NIST
I [2413.00; 2465.00]   Show Hide
I 2425.00 NIST
I 2440.00 NIST
I 2465.00 NIST
I 2413.00 NIST
I 2425.00 NIST
Tboil 732.87 K Joback Calculated Property
Tc 969.98 K Joback Calculated Property
Tfus 449.71 K Joback Calculated Property
Vc 0.694 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [498.70; 565.70] J/mol×K [732.87; 969.98] Show Hide
Cp,gas 498.70 J/mol×K 732.87 Joback Calculated Property
Cp,gas 512.46 J/mol×K 772.39 Joback Calculated Property
Cp,gas 525.14 J/mol×K 811.91 Joback Calculated Property
Cp,gas 536.78 J/mol×K 851.43 Joback Calculated Property
Cp,gas 547.39 J/mol×K 890.94 Joback Calculated Property
Cp,gas 557.03 J/mol×K 930.46 Joback Calculated Property
Cp,gas 565.70 J/mol×K 969.98 Joback Calculated Property

Similar Compounds

4-Nitrobenzoic acid, 2-butyl ester. 4-Nitrobenzoic acid, 2-pentyl ester. Terephthalic acid, di(3-methylbut-2-yl) ester. Benzoic acid, 1,2-dimethylpropyl ester. 3-Methylbutan-2-yl 3,5-dinitrobenzoate. p-Nitrobenzoic acid, isobutyl ester. Terephthalic acid, isobutyl 3-methylbut-2-yl ester. Benzoic acid, 4-chloro, 1,2-dimethylpropyl ester. 4-Fluorobenzoic acid, 3-methylbut-2-yl ester. Benzoic acid, 4-nitro, 1-methyl-3-butenyl ester. 3-Bromobenzoic acid, 3-methylbut-2-yl ester. Benzoic acid, 4-methyl-, 3-methyl-2-butyl ester. Isophthalic acid, di(3-methylbut-2-yl) ester. 3-Methylbutan-2-yl 3-chlorobenzoate. 2-Bromobenzoic acid, 3-methylbut-2-yl ester.

Find more compounds similar to Benzoic acid, 4-nitro, 1,2-dimethylpropyl ester.

Sources

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