Chemical Properties of Benzeneacetic acid, 4-nitro-, but-3-yn-2-yl ester

Benzeneacetic acid, 4-nitro-, but-3-yn-2-yl ester

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InChI
InChI=1S/C12H11NO4/c1-3-9(2)17-12(14)8-10-4-6-11(7-5-10)13(15)16/h1,4-7,9H,8H2,2H3
InChI Key
AWQCWUSSUFXPMK-UHFFFAOYSA-N
Formula
C12H11NO4
SMILES
C#CC(C)OC(=O)Cc1ccc([N+](=O)[O-])cc1
Molecular Weight1
233.22
Sources

Physical Properties

Property Value Unit Source
Δf 175.20 kJ/mol Joback Calculated Property
Δfgas -34.89 kJ/mol Joback Calculated Property
Δfus 34.09 kJ/mol Joback Calculated Property
Δvap 70.46 kJ/mol Joback Calculated Property
logPoct/wat 1.702 Crippen Calculated Property
Pc 2953.69 kPa Joback Calculated Property
Tboil 723.43 K Joback Calculated Property
Tc 971.42 K Joback Calculated Property
Tfus 511.68 K Joback Calculated Property
Vc 0.661 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 449.44 J/mol×K 723.43 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Ethyl-4-nitrophenylacetate. Methyl 4-nitrophenylacetate. Benzeneacetic acid, 4-nitro-, undec-2-en-1-yl ester. Benzeneacetic acid, 4-nitro-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Ethyl 4-nitrobenzoylformate. Benzeneacetic acid, 1-methyl-2-propynyl ester. Benzeneethanol, 4-nitro-. 4-Nitrophenylacetone. 4-Nitrophenylglyoxylic acid. Phenyl-4-nitrophenylacetic acid, methyl ester. Benzeneacetic acid, 4-chloro-, but-3-yn-2-yl ester. Phenylacetic acid, hex-4-yn-3-yl ester. Benzene, 1-ethyl-4-nitro-. Methyl (3-nitrophenyl)acetate. 1-Bromo-2-(4-nitrophenyl)ethane.

Find more compounds similar to Benzeneacetic acid, 4-nitro-, but-3-yn-2-yl ester.

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