Chemical Properties of Benzeneacetic acid, 4-nitro-, undec-2-en-1-yl ester

Benzeneacetic acid, 4-nitro-, undec-2-en-1-yl ester

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InChI
InChI=1S/C19H27NO4/c1-2-3-4-5-6-7-8-9-10-15-24-19(21)16-17-11-13-18(14-12-17)20(22)23/h9-14H,2-8,15-16H2,1H3/b10-9+
InChI Key
DDQCNHRGXYOSBK-MDZDMXLPSA-N
Formula
C19H27NO4
SMILES
CCCCCCCCC=CCOC(=O)Cc1ccc([N+](=O)[O-])cc1
Molecular Weight1
333.42
Sources

Physical Properties

Property Value Unit Source
Δf 93.73 kJ/mol Joback Calculated Property
Δfgas -348.77 kJ/mol Joback Calculated Property
Δfus 52.97 kJ/mol Joback Calculated Property
Δvap 86.53 kJ/mol Joback Calculated Property
logPoct/wat 4.987 Crippen Calculated Property
Pc 1461.25 kPa Joback Calculated Property
Tboil 898.07 K Joback Calculated Property
Tc 1116.83 K Joback Calculated Property
Tfus 553.52 K Joback Calculated Property
Vc 1.077 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 862.41 J/mol×K 898.07 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 4
-NO2 1
=C< (ring) 2
-CH2- 9
=CH- 2
-CH3 1

Similar Compounds

Ethyl-4-nitrophenylacetate. Methyl 4-nitrophenylacetate. Benzeneacetic acid, 4-nitro-, but-3-yn-2-yl ester. Phenylacetic acid, undec-2-enyl ester. Ethyl 4-nitrobenzoylformate. Benzeneacetic acid, 4-chloro-, undec-2-en-1-yl ester. Geranyl phenylacetate. Benzeneethanol, 4-nitro-. 4-Nitrophenylglyoxylic acid. Phenylacetic acid, oct-3-en-2-yl ester. 1-Naphthaleneacetic acid, dodec-2-en-1-yl ester. 4-Nitrophenylacetone. Benzeneacetic acid, 4-nitro-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Hydratropic acid, undec-2-en-1-yl ester. Phenyl-4-nitrophenylacetic acid, methyl ester.

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