Chemical Properties of 4-Nitrobenzoic acid, 2-methyloct-5-yn-4-yl ester

4-Nitrobenzoic acid, 2-methyloct-5-yn-4-yl ester

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InChI
InChI=1S/C16H19NO4/c1-4-5-6-15(11-12(2)3)21-16(18)13-7-9-14(10-8-13)17(19)20/h7-10,12,15H,4,11H2,1-3H3
InChI Key
SFNNMCIJIXGXOM-UHFFFAOYSA-N
Formula
C16H19NO4
SMILES
CCC#CC(CC(C)C)OC(=O)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
289.33
Sources

Physical Properties

Property Value Unit Source
Δf 186.17 kJ/mol Joback Calculated Property
Δfgas -142.33 kJ/mol Joback Calculated Property
Δfus 41.07 kJ/mol Joback Calculated Property
Δvap 81.27 kJ/mol Joback Calculated Property
logPoct/wat 3.58 Crippen Calculated Property
Pc 2058.62 kPa Joback Calculated Property
Tboil 833.39 K Joback Calculated Property
Tc 1076.04 K Joback Calculated Property
Tfus 600.89 K Joback Calculated Property
Vc 0.88 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 665.61 J/mol×K 833.39 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
-CH3 3
=CH- (ring) 4
-NO2 1
#C- 2
=C< (ring) 2
-CH2- 2
>C=O (nonring) 1

Similar Compounds

4-Nitrobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Nitrobenzoic acid, hex-4-yn-3-yl ester. 4-Nitrobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Nitrobenzoic acid, 2-pentyl ester. 4-Nitrobenzoic acid, tridec-2-ynyl ester. Benzoic acid, 4-nitro, 1-methylpropyl ester. 1-Butanol, 3-methyl-, 4-nitrobenzoate. P-toluic acid, 2-methyloct-5-yn-4-yl ester. 4-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester. Benzoic acid, 4-nitro, 1,2-dimethylpropyl ester. 4-Chlorobenzoic acid, 2-methyloct-5-yn-4-yl ester. n-Butyl 4-nitrobenzoate. Benzoic acid, 4-nitro-, pentyl ester. Benzoic acid, 4-nitro, 1-methyl-3-butenyl ester. Benzoic acid, 4-nitro, 4-pentenyl ester.

Find more compounds similar to 4-Nitrobenzoic acid, 2-methyloct-5-yn-4-yl ester.

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