Chemical Properties of pentyl 3,5-dinitrobenzoate (CAS 10478-03-2)

pentyl 3,5-dinitrobenzoate

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InChI
InChI=1S/C12H14N2O6/c1-2-3-4-5-20-12(15)9-6-10(13(16)17)8-11(7-9)14(18)19/h6-8H,2-5H2,1H3
InChI Key
KVRKVNNGYVWNGH-UHFFFAOYSA-N
Formula
C12H14N2O6
SMILES
CCCCCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
Molecular Weight1
282.25
CAS
10478-03-2
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Physical Properties

Property Value Unit Source
Δf -19.51 kJ/mol Joback Calculated Property
Δfgas -343.74 kJ/mol Joback Calculated Property
Δfus 45.61 kJ/mol Joback Calculated Property
Δvap 88.24 kJ/mol Joback Calculated Property
log10WS -4.69 Crippen Calculated Property
logPoct/wat 2.850 Crippen Calculated Property
McVol 198.460 ml/mol McGowan Calculated Property
Pc 2502.50 kPa Joback Calculated Property
Inp [2039.00; 2083.00]   Show Hide
Inp 2039.00 NIST
Inp 2047.00 NIST
Inp 2058.00 NIST
Inp 2074.00 NIST
Inp 2083.00 NIST
Inp 2058.00 NIST
Inp 2039.00 NIST
Inp 2058.00 NIST
I [2969.00; 3007.00]   Show Hide
I 2969.00 NIST
I 2993.00 NIST
I 3007.00 NIST
I 3007.00 NIST
I 2969.00 NIST
I 3007.00 NIST
Tboil 890.57 K Joback Calculated Property
Tc 1136.97 K Joback Calculated Property
Tfus 635.84 K Joback Calculated Property
Vc 0.787 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [588.58; 635.17] J/mol×K [890.57; 1136.97] Show Hide
Cp,gas 588.58 J/mol×K 890.57 Joback Calculated Property
Cp,gas 598.94 J/mol×K 931.64 Joback Calculated Property
Cp,gas 608.21 J/mol×K 972.70 Joback Calculated Property
Cp,gas 616.44 J/mol×K 1013.77 Joback Calculated Property
Cp,gas 623.65 J/mol×K 1054.84 Joback Calculated Property
Cp,gas 629.89 J/mol×K 1095.91 Joback Calculated Property
Cp,gas 635.17 J/mol×K 1136.97 Joback Calculated Property

Similar Compounds

hexyl 3,5-dinitrobenzoate. dodecyl 3,5-dinitrobenzoate. heptyl 3,5-dinitrobenzoate. undecyl 3,5-dinitrobenzoate. decyl 3,5-dinitrobenzoate. nonyl 3,5-dinitrobenzoate. octyl 3,5-dinitrobenzoate. butyl 3,5-dinitrobenzoate. 8-Chlorooctyl 3,5-dinitrobenzoate. 10-Chlorodecyl 3,5-dinitrobenzoate. Isopentyl 3,5-dinitrobenzoate. (Z)-Dec-4-enyl 3,5-dinitrobenzoate. Hexan-2-yl 3,5-dinitrobenzoate. Pentan-2-yl 3,5-dinitrobenzoate. Octan-2-yl 3,5-dinitrobenzoate.

Find more compounds similar to pentyl 3,5-dinitrobenzoate.

Sources

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