Chemical Properties of Benzoic acid, 4-nitro, 2-propynyl ester

Benzoic acid, 4-nitro, 2-propynyl ester

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InChI
InChI=1S/C10H7NO4/c1-2-7-15-10(12)8-3-5-9(6-4-8)11(13)14/h1,3-6H,7H2
InChI Key
GFKCCMNDZCDTGK-UHFFFAOYSA-N
Formula
C10H7NO4
SMILES
C#CCOC(=O)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
205.17
Other Names
  • 2-Propynyl 4-nitrobenzoate
Sources

Physical Properties

Property Value Unit Source
Δf 160.80 kJ/mol Joback Calculated Property
Δfgas 11.67 kJ/mol Joback Calculated Property
Δfus 32.43 kJ/mol Joback Calculated Property
Δvap 66.40 kJ/mol Joback Calculated Property
logPoct/wat 1.38 Crippen Calculated Property
Pc 3646.53 kPa Joback Calculated Property
Tboil 678.11 K Joback Calculated Property
Tc 932.23 K Joback Calculated Property
Tfus 504.14 K Joback Calculated Property
Vc 0.56 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 349.65 J/mol×K 678.11 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 1
>C=O (nonring) 1

Similar Compounds

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

Find more compounds similar to Benzoic acid, 4-nitro, 2-propynyl ester.

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