Chemical Properties of 3-Methylbut-3-enyl 3,5-dinitrobenzoate

3-Methylbut-3-enyl 3,5-dinitrobenzoate

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InChI
InChI=1S/C12H12N2O6/c1-8(2)3-4-20-12(15)9-5-10(13(16)17)7-11(6-9)14(18)19/h5-7H,1,3-4H2,2H3
InChI Key
XGFGKTGBDOKXEY-UHFFFAOYSA-N
Formula
C12H12N2O6
SMILES
C=C(C)CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
Molecular Weight1
280.23
Sources

Physical Properties

Property Value Unit Source
Δf 59.78 kJ/mol Joback Calculated Property
Δfgas -228.10 kJ/mol Joback Calculated Property
Δfus 43.02 kJ/mol Joback Calculated Property
Δvap 87.65 kJ/mol Joback Calculated Property
logPoct/wat 2.63 Crippen Calculated Property
Pc 2624.46 kPa Joback Calculated Property
Tboil 887.13 K Joback Calculated Property
Tc 1140.80 K Joback Calculated Property
Tfus 620.12 K Joback Calculated Property
Vc 0.77 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 560.72 J/mol×K 887.13 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 1
=CH- (ring) 3
=CH2 1
=C< (ring) 3
-CH2- 2
-CH3 1
>C=O (nonring) 1
-NO2 2

Similar Compounds

Benzoic acid, 3,5-dinitro, 3-butenyl ester. Benzoic acid, 3,5-dinitro, 4-pentenyl ester. (E)-Hex-3-enyl 3,5-dinitrobenzoate. (Z)-Hex-3-enyl 3,5-dinitrobenzoate. (Z)-Non-3-enyl 3,5-dinitrobenzoate. hexyl 3,5-dinitrobenzoate. (Z)-Dec-4-enyl 3,5-dinitrobenzoate. heptyl 3,5-dinitrobenzoate. dodecyl 3,5-dinitrobenzoate. decyl 3,5-dinitrobenzoate. undecyl 3,5-dinitrobenzoate. Benzoic acid, 3,5-dinitro, 2-methylpropyl ester. Neopentyl 3,5-dinitrobenzoate. 10-Chlorodecyl 3,5-dinitrobenzoate. Ethyl 3,5-dinitrobenzoate.

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