Chemical Properties of 4-Nitrobenzoic acid, 2-pentyl ester (CAS 100391-69-3)

4-Nitrobenzoic acid, 2-pentyl ester

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InChI
InChI=1S/C12H15NO4/c1-3-4-9(2)17-12(14)10-5-7-11(8-6-10)13(15)16/h5-9H,3-4H2,1-2H3
InChI Key
BAJPTXADVLNCKW-UHFFFAOYSA-N
Formula
C12H15NO4
SMILES
CCCC(C)OC(=O)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
237.25
CAS
100391-69-3
Other Names
  • Benzoic acid, 4-nitro, 1-methylbutyl ester
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Physical Properties

Property Value Unit Source
Δf -47.87 kJ/mol Joback Calculated Property
Δfgas -326.79 kJ/mol Joback Calculated Property
Δfus 31.11 kJ/mol Joback Calculated Property
Δvap 70.60 kJ/mol Joback Calculated Property
log10WS -4.15 Crippen Calculated Property
logPoct/wat 2.940 Crippen Calculated Property
McVol 181.040 ml/mol McGowan Calculated Property
Pc 2530.27 kPa Joback Calculated Property
Inp [1721.00; 1740.00]   Show Hide
Inp 1721.00 NIST
Inp 1721.00 NIST
Inp 1724.00 NIST
Inp Outlier 1740.00 NIST
Inp 1724.00 NIST
Inp 1724.00 NIST
I [2438.00; 2490.00]   Show Hide
I 2438.00 NIST
I 2448.00 NIST
I 2463.00 NIST
I 2490.00 NIST
I 2438.00 NIST
I 2448.00 NIST
Tboil 733.31 K Joback Calculated Property
Tc 966.01 K Joback Calculated Property
Tfus 464.71 K Joback Calculated Property
Vc 0.700 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [498.12; 564.27] J/mol×K [733.31; 966.01] Show Hide
Cp,gas 498.12 J/mol×K 733.31 Joback Calculated Property
Cp,gas 511.61 J/mol×K 772.09 Joback Calculated Property
Cp,gas 524.08 J/mol×K 810.88 Joback Calculated Property
Cp,gas 535.55 J/mol×K 849.66 Joback Calculated Property
Cp,gas 546.05 J/mol×K 888.45 Joback Calculated Property
Cp,gas 555.62 J/mol×K 927.23 Joback Calculated Property
Cp,gas 564.27 J/mol×K 966.01 Joback Calculated Property

Similar Compounds

4-Nitrobenzoic acid, 2-butyl ester. Benzoic acid, 4-nitro-, pentyl ester. 4-Nitrobenzoic acid, hexyl ester. 4-Nitrobenzoic acid, heptyl ester. Benzoic acid, 4-nitro-, octyl ester. 4-Nitrobenzoic acid, dodecyl ester. 4-Nitrobenzoic acid, undecyl ester. 4-Nitrobenzoic acid, decyl ester. 4-Nitrobenzoic acid, nonyl ester. Pentan-2-yl 3,5-dinitrobenzoate. n-Butyl 4-nitrobenzoate. Benzoic acid, 4-nitro, 1,2-dimethylpropyl ester. Hexan-2-yl 3,5-dinitrobenzoate. Benzoic acid, hex-2-yl ester. Decan-2-yl 3,5-dinitrobenzoate.

Find more compounds similar to 4-Nitrobenzoic acid, 2-pentyl ester.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.