Chemical Properties of 4-Nitrobenzoic acid, pent-2-en-4-ynyl ester

4-Nitrobenzoic acid, pent-2-en-4-ynyl ester

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InChI
InChI=1S/C12H9NO4/c1-2-3-4-9-17-12(14)10-5-7-11(8-6-10)13(15)16/h1,3-8H,9H2
InChI Key
MXGZFNDFBAXWGJ-UHFFFAOYSA-N
Formula
C12H9NO4
SMILES
C#CC=CCOC(=O)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
231.20
Sources

Physical Properties

Property Value Unit Source
Δf 257.86 kJ/mol Joback Calculated Property
Δfgas 87.61 kJ/mol Joback Calculated Property
Δfus 37.81 kJ/mol Joback Calculated Property
Δvap 70.81 kJ/mol Joback Calculated Property
logPoct/wat 1.94 Crippen Calculated Property
Pc 3100.18 kPa Joback Calculated Property
Tboil 728.03 K Joback Calculated Property
Tc 980.95 K Joback Calculated Property
Tfus 521.60 K Joback Calculated Property
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 424.37 J/mol×K 728.03 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 4-nitro, (E)-2-butenyl ester. 4-Nitrobenzoic acid, 3-methylbut-2-enyl ester. Benzoic acid, 4-nitro, allyl ester. 4-Nitrobenzoic acid, 3-chloroprop-2-enyl ester. Ethyl 4-nitrobenzoate. 4-Nitrobenzoic acid, undec-2-enyl ester. Benzoic acid, 4-nitro, 2-propynyl ester. Benzoic acid, 4-nitro-, 1-methylethyl ester. P-nitrobenzoic acid, n-propyl ester. Ethanol, 2-chloro, 4-nitrobenzoate. Methyl p-nitro benzoate. Benzoic acid, 4-nitro-, methyl ester. P-nitrobenzoic acid, isobutyl ester. Benzoic acid, 4-nitro, 3-butenyl ester. n-Butyl 4-nitrobenzoate.

Find more compounds similar to 4-Nitrobenzoic acid, pent-2-en-4-ynyl ester.

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