Chemical Properties of Benzoic acid, 2-nitro-, methyl ester (CAS 606-27-9)

Benzoic acid, 2-nitro-, methyl ester

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InChI
InChI=1S/C8H7NO4/c1-13-8(10)6-4-2-3-5-7(6)9(11)12/h2-5H,1H3
InChI Key
AOXPHVNMBPFOFS-UHFFFAOYSA-N
Formula
C8H7NO4
SMILES
COC(=O)c1ccccc1[N+](=O)[O-]
Molecular Weight1
181.15
CAS
606-27-9
Other Names
  • Benzoic acid, o-nitro-, methyl ester
  • Methyl 2-nitrobenzoate
  • Methyl o-nitrobenzoate
  • Methyl ortho-nitrobenzoate
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Physical Properties

Property Value Unit Source
Δf -79.11 kJ/mol Joback Calculated Property
Δfgas -238.95 kJ/mol Joback Calculated Property
Δfus 24.28 kJ/mol Joback Calculated Property
Δvap 62.09 kJ/mol Joback Calculated Property
log10WS -2.36 Crippen Calculated Property
logPoct/wat 1.381 Crippen Calculated Property
McVol 124.680 ml/mol McGowan Calculated Property
Pc 3848.31 kPa Joback Calculated Property
Tboil 548.20 K NIST
Tc 889.97 K Joback Calculated Property
Tfus 434.63 K Joback Calculated Property
Vc 0.481 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [298.26; 349.99] J/mol×K [642.23; 889.97] Show Hide
Cp,gas 298.26 J/mol×K 642.23 Joback Calculated Property
Cp,gas 308.88 J/mol×K 683.52 Joback Calculated Property
Cp,gas 318.68 J/mol×K 724.81 Joback Calculated Property
Cp,gas 327.67 J/mol×K 766.10 Joback Calculated Property
Cp,gas 335.88 J/mol×K 807.39 Joback Calculated Property
Cp,gas 343.31 J/mol×K 848.68 Joback Calculated Property
Cp,gas 349.99 J/mol×K 889.97 Joback Calculated Property
ΔvapH 56.10 kJ/mol 438.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [419.93; 624.50] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.83733e+01
Coefficient B-9.61945e+03
Coefficient C1.11957e+02
Temperature range, min.419.93
Temperature range, max.624.50
Pvap 1.33 kPa 419.93 Calculated Property
Pvap 2.80 kPa 442.66 Calculated Property
Pvap 5.54 kPa 465.39 Calculated Property
Pvap 10.41 kPa 488.12 Calculated Property
Pvap 18.69 kPa 510.85 Calculated Property
Pvap 32.19 kPa 533.58 Calculated Property
Pvap 53.44 kPa 556.31 Calculated Property
Pvap 85.81 kPa 579.04 Calculated Property
Pvap 133.68 kPa 601.77 Calculated Property
Pvap 202.64 kPa 624.50 Calculated Property

Similar Compounds

Ethyl 2-nitrobenzoate. Benzoic acid, 2-nitro-. Trimethylsilyl 2-nitrobenzoate. Benzoic acid, 3-nitro-, methyl ester. 2,4-Dinitrobenzoic acid. Bifenox. Benzoic acid, 2,5-dinitro-. 5-Chloro-2-nitrobenzoic acid. 1,3-Isobenzofurandione, 4-nitro-. 4-Chloro-2-nitrobenzoic acid. 2-Carbomethoxyphenyl isocyanate. Terephthalic acid, ethyl 2-nitrobenzyl ester. 3-Methyl-6-nitrobenzoic acid. Methyl anthranilate. Methyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate.

Find more compounds similar to Benzoic acid, 2-nitro-, methyl ester.

Sources

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