Chemical Properties of Benzoic acid, (4-methyl-3-nitrophenyl)methyl ester

Benzoic acid, (4-methyl-3-nitrophenyl)methyl ester

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InChI
InChI=1S/C15H13NO4/c1-11-7-8-12(9-14(11)16(18)19)10-20-15(17)13-5-3-2-4-6-13/h2-9H,10H2,1H3
InChI Key
JPEFFKIRQUWSDT-UHFFFAOYSA-N
Formula
C15H13NO4
SMILES
Cc1ccc(COC(=O)c2ccccc2)cc1[N+](=O)[O-]
Molecular Weight1
271.27
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Physical Properties

Property Value Unit Source
Δf 82.61 kJ/mol Joback Calculated Property
Δfgas -158.37 kJ/mol Joback Calculated Property
Δfus 36.06 kJ/mol Joback Calculated Property
Δvap 80.61 kJ/mol Joback Calculated Property
log10WS -4.95 Crippen Calculated Property
logPoct/wat 3.260 Crippen Calculated Property
McVol 199.550 ml/mol McGowan Calculated Property
Pc 2581.96 kPa Joback Calculated Property
Inp [2359.00; 2359.00]   Show Hide
Inp 2359.00 NIST
Inp 2359.00 NIST
Tboil 834.05 K Joback Calculated Property
Tc 1090.64 K Joback Calculated Property
Tfus 552.46 K Joback Calculated Property
Vc 0.765 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [562.71; 619.16] J/mol×K [834.05; 1090.64] Show Hide
Cp,gas 562.71 J/mol×K 834.05 Joback Calculated Property
Cp,gas 575.05 J/mol×K 876.82 Joback Calculated Property
Cp,gas 586.14 J/mol×K 919.58 Joback Calculated Property
Cp,gas 596.04 J/mol×K 962.35 Joback Calculated Property
Cp,gas 604.80 J/mol×K 1005.11 Joback Calculated Property
Cp,gas 612.49 J/mol×K 1047.88 Joback Calculated Property
Cp,gas 619.16 J/mol×K 1090.64 Joback Calculated Property

Similar Compounds

Terephthalic acid, ethyl 3-nitro-4-methylbenzyl ester. Phthalic acid, ethyl 4-methyl-3-nitrobenzyl ester. Terephthalic acid, 3-nitro-4-methylbenzyl propyl ester. Terephthalic acid, isobutyl 3-nitro-4-methylbenzyl ester. Benzoic acid, (2-methyl-3-nitrophenyl)methyl ester. Phthalic acid, 4-methyl-3-nitrobenzyl propyl ester. Phthalic acid, 3,5-dinitro-4-methylbenzyl ethyl ester. Formic acid, (4-methyl-3-nitrophenyl)methyl ester. Terephthalic acid, ethyl 2-nitrobenzyl ester. Phthalic acid, isobutyl 4-methyl-3-nitrobenzyl ester. Benzoic acid, (4-fluoro-3-nitrophenyl)methyl ester. Benzoic acid, (3-methyl-4-nitrophenyl)methyl ester. Benzoic acid, (4-chloro-3-nitrophenyl)methyl ester. Acetic acid, (4-methyl-3-nitrophenyl)methyl ester. Benzoic acid, (5-chloro-2-nitrophenyl)methyl ester.

Find more compounds similar to Benzoic acid, (4-methyl-3-nitrophenyl)methyl ester.

Sources

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