Chemical Properties of Benzoic acid, 4-nitro-, octyl ester (CAS 6500-50-1)

Benzoic acid, 4-nitro-, octyl ester

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InChI
InChI=1S/C15H21NO4/c1-2-3-4-5-6-7-12-20-15(17)13-8-10-14(11-9-13)16(18)19/h8-11H,2-7,12H2,1H3
InChI Key
WHZYPQVZYYTVFW-UHFFFAOYSA-N
Formula
C15H21NO4
SMILES
CCCCCCCCOC(=O)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
279.33
CAS
6500-50-1
Other Names
  • 4-Nitrobenzoic acid, octyl ester
  • octyl 4-nitrobenzoate
  • octyl p-nitrobenzoate
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Physical Properties

Property Value Unit Source
Δf -20.17 kJ/mol Joback Calculated Property
Δfgas -383.43 kJ/mol Joback Calculated Property
Δfus 42.41 kJ/mol Joback Calculated Property
Δvap 77.67 kJ/mol Joback Calculated Property
log10WS -5.29 Crippen Calculated Property
logPoct/wat 4.112 Crippen Calculated Property
McVol 223.310 ml/mol McGowan Calculated Property
Pc 1916.94 kPa Joback Calculated Property
Inp [2101.00; 2140.00]   Show Hide
Inp 2108.00 NIST
Inp 2101.00 NIST
Inp 2108.00 NIST
Inp 2120.00 NIST
Inp 2131.00 NIST
Inp 2140.00 NIST
Inp 2121.00 NIST
I [2874.00; 2926.00]   Show Hide
I 2874.00 NIST
I 2874.00 NIST
I 2910.00 NIST
I 2926.00 NIST
I 2911.00 NIST
I 2911.00 NIST
I 2874.00 NIST
Tboil 802.39 K Joback Calculated Property
Tc 1021.16 K Joback Calculated Property
Tfus 513.52 K Joback Calculated Property
Vc 0.874 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [660.01; 730.73] J/mol×K [802.39; 1021.16] Show Hide
Cp,gas 660.01 J/mol×K 802.39 Joback Calculated Property
Cp,gas 674.29 J/mol×K 838.85 Joback Calculated Property
Cp,gas 687.53 J/mol×K 875.31 Joback Calculated Property
Cp,gas 699.75 J/mol×K 911.78 Joback Calculated Property
Cp,gas 711.01 J/mol×K 948.24 Joback Calculated Property
Cp,gas 721.32 J/mol×K 984.70 Joback Calculated Property
Cp,gas 730.73 J/mol×K 1021.16 Joback Calculated Property

Similar Compounds

4-Nitrobenzoic acid, dodecyl ester. 4-Nitrobenzoic acid, undecyl ester. 4-Nitrobenzoic acid, decyl ester. 4-Nitrobenzoic acid, heptyl ester. 4-Nitrobenzoic acid, nonyl ester. 4-Nitrobenzoic acid, hexyl ester. Benzoic acid, 4-nitro-, pentyl ester. n-Butyl 4-nitrobenzoate. 1-Butanol, 3-methyl-, 4-nitrobenzoate. 4-Nitrobenzoic acid, 2-pentyl ester. Benzoic acid, 4-nitro, 4-pentenyl ester. Heptyl p-aminobenzoate. Benzoic acid, 4-amino-, octyl ester. nonyl 4-aminobenzoate. octyl 3,5-dinitrobenzoate.

Find more compounds similar to Benzoic acid, 4-nitro-, octyl ester.

Sources

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