Chemical Properties of (E)-Hex-3-enyl 3,5-dinitrobenzoate

(E)-Hex-3-enyl 3,5-dinitrobenzoate

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InChI
InChI=1S/C13H14N2O6/c1-2-3-4-5-6-21-13(16)10-7-11(14(17)18)9-12(8-10)15(19)20/h3-4,7-9H,2,5-6H2,1H3/b4-3+
InChI Key
QVOVOBIUXJFNNO-ONEGZZNKSA-N
Formula
C13H14N2O6
SMILES
CCC=CCCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
Molecular Weight1
294.26
Other Names
  • Benzoic acid, 3,5-dinitro, (E)-3-hexenyl ester
  • (E)-3-Hexenyl 3,5-dinitrobenzoate
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Physical Properties

Property Value Unit Source
Δf 69.13 kJ/mol Joback Calculated Property
Δfgas -247.16 kJ/mol Joback Calculated Property
Δfus 48.40 kJ/mol Joback Calculated Property
Δvap 90.43 kJ/mol Joback Calculated Property
log10WS -4.96 Crippen Calculated Property
logPoct/wat 3.016 Crippen Calculated Property
McVol 208.250 ml/mol McGowan Calculated Property
Pc 2395.87 kPa Joback Calculated Property
Inp [2119.00; 2156.00]   Show Hide
Inp 2119.00 NIST
Inp 2134.00 NIST
Inp 2144.00 NIST
Inp 2156.00 NIST
Inp 2119.00 NIST
I [3084.00; 3125.00]   Show Hide
I 3084.00 NIST
I 3104.00 NIST
I 3125.00 NIST
I 3116.00 NIST
Tboil 917.61 K Joback Calculated Property
Tc 1167.80 K Joback Calculated Property
Tfus 642.03 K Joback Calculated Property
Vc 0.824 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [615.41; 663.72] J/mol×K [917.61; 1167.80] Show Hide
Cp,gas 615.41 J/mol×K 917.61 Joback Calculated Property
Cp,gas 625.70 J/mol×K 959.31 Joback Calculated Property
Cp,gas 635.02 J/mol×K 1001.01 Joback Calculated Property
Cp,gas 643.41 J/mol×K 1042.70 Joback Calculated Property
Cp,gas 650.96 J/mol×K 1084.40 Joback Calculated Property
Cp,gas 657.70 J/mol×K 1126.10 Joback Calculated Property
Cp,gas 663.72 J/mol×K 1167.80 Joback Calculated Property

Similar Compounds

(Z)-Hex-3-enyl 3,5-dinitrobenzoate. (Z)-Non-3-enyl 3,5-dinitrobenzoate. But-3-enyl 3,5-dinitrobenzoate. (Z)-Dec-4-enyl 3,5-dinitrobenzoate. Pent-4-enyl 3,5-dinitrobenzoate. propyl 3,5-dinitrobenzoate. 3-Methylbut-3-enyl 3,5-dinitrobenzoate. Benzoic acid, 3,5-dinitro, 1-methyl-3-butenyl ester. Benzoic acid, 4-nitro, (E)-3-hexenyl ester. Benzoic acid, 4-nitro, (Z)-3-hexenyl ester. butyl 3,5-dinitrobenzoate. Benzoic acid, 3,5-dinitro, 2-methylpropyl ester. Isopentyl 3,5-dinitrobenzoate. 3,7-Dimethyloct-6-enyl 3,5-dinitrobenzoate. hexyl 3,5-dinitrobenzoate.

Find more compounds similar to (E)-Hex-3-enyl 3,5-dinitrobenzoate.

Sources

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