Chemical Properties of Benzoic acid, 3,5-dinitro, 1-phenylethyl ester

Benzoic acid, 3,5-dinitro, 1-phenylethyl ester

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InChI
InChI=1S/C15H12N2O6/c1-10(11-5-3-2-4-6-11)23-15(18)12-7-13(16(19)20)9-14(8-12)17(21)22/h2-10H,1H3
InChI Key
YATKDADIXNBBCZ-UHFFFAOYSA-N
Formula
C15H12N2O6
SMILES
CC(OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1
Molecular Weight1
316.27
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Physical Properties

Property Value Unit Source
Δf 115.72 kJ/mol Joback Calculated Property
Δfgas -174.41 kJ/mol Joback Calculated Property
Δfus 43.90 kJ/mol Joback Calculated Property
Δvap 96.81 kJ/mol Joback Calculated Property
log10WS -5.51 Crippen Calculated Property
logPoct/wat 3.421 Crippen Calculated Property
McVol 216.970 ml/mol McGowan Calculated Property
Pc 2635.25 kPa Joback Calculated Property
Inp [2310.00; 2377.00]   Show
Inp 2310.00 NIST
Inp 2327.00 NIST
Inp 2344.00 NIST
Inp 2358.00 NIST
Inp 2377.00 NIST
Inp 2362.00 NIST
Inp 2370.00 NIST
Inp 2362.00 NIST
Tboil 985.45 K Joback Calculated Property
Tc 1260.43 K Joback Calculated Property
Tfus 681.07 K Joback Calculated Property
Vc 0.842 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [647.67; 682.25] J/mol×K [985.45; 1260.43] Show
T(K)
Ideal gas heat capacity (J/mol×K)
650
660
670
680
1000
1100
1200
Cp,gas 647.67 J/mol×K 985.45 Joback Calculated Property
Cp,gas 656.37 J/mol×K 1031.28 Joback Calculated Property
Cp,gas 663.79 J/mol×K 1077.11 Joback Calculated Property
Cp,gas 670.00 J/mol×K 1122.94 Joback Calculated Property
Cp,gas 675.09 J/mol×K 1168.77 Joback Calculated Property
Cp,gas 679.15 J/mol×K 1214.60 Joback Calculated Property
Cp,gas 682.25 J/mol×K 1260.43 Joback Calculated Property

Similar Compounds

Benzoic acid, 4-nitro, 1-phenylethyl ester. Benzoic acid, 3,5-dinitro, 2-phenylethyl ester. 3-Phenoxybenzyl 3,5-dinitrobenzoate. Benzoic acid, 1-phenylethyl ester. 1-Phenylethyl 2-chlorobenzoate. 1-Phenylethyl 4-chlorobenzoate. Phthalic acid, 3,5-dinitro-4-methylbenzyl pentyl ester. Phthalic acid, butyl 3,5-dinitro-4-methylbenzyl ester. Phthalic acid, 3,5-dinitro-4-methylbenzyl hexyl ester. Benzoic acid, 3,5-dinitro-, phenylmethyl ester. Phthalic acid, 3,5-dinitro-4-methylbenzyl heptyl ester. 10-Methoxy-14-methyl-5-oxo-5,7,8,14-tetrahydro-indolo-[2,3-c]-quinazo-[3,2,a]-pyridine. (-)-2-Aminobutan-1-ol, ferroceneboronate derivative. Lysergol. N-Acetylnornarcotine.

Find more compounds similar to Benzoic acid, 3,5-dinitro, 1-phenylethyl ester.

Sources

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