Chemical Properties of Prop-2-ynyl 3,5-dinitrobenzoate

Prop-2-ynyl 3,5-dinitrobenzoate

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InChI
InChI=1S/C10H6N2O6/c1-2-3-18-10(13)7-4-8(11(14)15)6-9(5-7)12(16)17/h1,4-6H,3H2
InChI Key
YBKJIXGRDWJQTE-UHFFFAOYSA-N
Formula
C10H6N2O6
SMILES
C#CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
Molecular Weight1
250.16
Other Names
  • Benzoic acid, 3,5-dinitro, 2-propynyl ester
  • 2-Propynyl 3,5-dinitrobenzoate
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Physical Properties

Property Value Unit Source
Δf 186.72 kJ/mol Joback Calculated Property
Δfgas -10.56 kJ/mol Joback Calculated Property
Δfus 43.40 kJ/mol Joback Calculated Property
Δvap 83.65 kJ/mol Joback Calculated Property
log10WS -3.65 Crippen Calculated Property
logPoct/wat 1.293 Crippen Calculated Property
McVol 161.680 ml/mol McGowan Calculated Property
Pc 3633.35 kPa Joback Calculated Property
Inp [1846.00; 1862.00]   Show Hide
Inp 1846.00 NIST
Inp 1857.00 NIST
Inp 1862.00 NIST
I [3094.00; 3125.00]   Show Hide
I 3094.00 NIST
I 3105.00 NIST
I 3125.00 NIST
I 3119.00 NIST
Tboil 834.93 K Joback Calculated Property
Tc 1106.30 K Joback Calculated Property
Tfus 660.27 K Joback Calculated Property
Vc 0.637 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [426.83; 463.62] J/mol×K [834.93; 1106.30] Show Hide
Cp,gas 426.83 J/mol×K 834.93 Joback Calculated Property
Cp,gas 435.23 J/mol×K 880.16 Joback Calculated Property
Cp,gas 442.66 J/mol×K 925.39 Joback Calculated Property
Cp,gas 449.17 J/mol×K 970.61 Joback Calculated Property
Cp,gas 454.81 J/mol×K 1015.84 Joback Calculated Property
Cp,gas 459.61 J/mol×K 1061.07 Joback Calculated Property
Cp,gas 463.62 J/mol×K 1106.30 Joback Calculated Property

Similar Compounds

Ethyl 3,5-dinitrobenzoate. Methyl 3,5-dinitrobenzoate. 2,2,2-Trichloroethyl 3,5-dinitrobenzoate. Ethylene glycol bis(3,5-dinitrobenzoate). 2,2-Dichloroethyl 3,5-dinitrobenzoate. 2-Chloroethyl 3,5-dinitrobenzoate. Neopentyl 3,5-dinitrobenzoate. Benzoic acid, 3,5-dinitro, allyl ester. Benzoic acid, 3,5-dinitro, isopropyl ester. propyl 3,5-dinitrobenzoate. 2-Ethoxyethyl 3,5-dinitrobenzoate. 2-(2-Methoxyethoxy)ethyl 3,5-dinitrobenzoate. 2-(2-Ethoxyethoxy)ethyl 3,5-dinitrobenzoate. Benzoic acid, 3,5-dinitro, 2-methylpropyl ester. Ethyl 3-nitrobenzoate.

Find more compounds similar to Prop-2-ynyl 3,5-dinitrobenzoate.

Sources

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