Chemical Properties of Benzoic acid, 4-nitro-, methyl ester (CAS 619-50-1)

Benzoic acid, 4-nitro-, methyl ester

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InChI
InChI=1S/C8H7NO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3
InChI Key
YOJAHJGBFDPSDI-UHFFFAOYSA-N
Formula
C8H7NO4
SMILES
COC(=O)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
181.15
CAS
619-50-1
Other Names
  • 4-Nitrobenzoic acid methyl ester
  • Benzoic acid, p-nitro-, methyl ester
  • Methyl 4-nitrobenzoate
  • Methyl ester of 4-Nitrobenzoic acid
  • Methyl p-nitrobenzoate
  • Methyl para-nitrobenzoate
  • p-Nitrobenzoic acid methyl ester
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Physical Properties

Property Value Unit Source
PAff 813.20 kJ/mol NIST
BasG 782.30 kJ/mol NIST
EA [1.46; 1.47] eV Show Hide
EA 1.46 ± 0.09 eV NIST
EA 1.47 ± 0.09 eV NIST
Δf -79.11 kJ/mol Joback Calculated Property
Δfgas -287.00 ± 11.00 kJ/mol NIST
Δfliquid -387.20 ± 1.30 kJ/mol NIST
Δfus 24.28 kJ/mol Joback Calculated Property
Δvap 100.00 ± 10.00 kJ/mol NIST
IE 9.70 eV NIST
log10WS -3.04 Aq. Sol...
logPoct/wat 1.381 Crippen Calculated Property
McVol 124.680 ml/mol McGowan Calculated Property
Pc 3848.31 kPa Joback Calculated Property
Inp [1411.00; 1449.00]   Show Hide
Inp 1432.00 NIST
Inp 1427.00 NIST
Inp 1449.00 NIST
Inp 1440.00 NIST
Inp 1411.00 NIST
Inp 1423.00 NIST
Inp 1445.00 NIST
I [2250.00; 2314.00]   Show Hide
I 2273.00 NIST
I 2314.00 NIST
I 2314.00 NIST
I 2250.00 NIST
I 2273.00 NIST
Tboil 642.23 K Joback Calculated Property
Tc 889.97 K Joback Calculated Property
Tfus 368.82 K Aq. Sol...
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

Similar Compounds

Methyl p-nitro benzoate. Benzoic acid, 4-nitroso-, methyl ester. Benzoic acid, 4-nitro, 2-propynyl ester. Benzoic acid, 4-nitro-, ethyl ester. Benzoic acid, 4-nitro, 2,2,2-trichloroethyl ester. Benzoic acid, 4-nitro-, anhydride. Benzoic acid, 4-nitro-. Benzoic acid, 4-nitro, 2,2-dichloroethyl ester. Benzoic acid, 4-nitro, 2-chloroethyl ester. Benzoic acid, 4-nitro, allyl ester. Benzoic acid, 4-nitro-, 1-methylethyl ester. p-Nitrobenzoic acid, n-propyl ester. Benzoic acid, 3-nitro-, methyl ester. 4-Nitrobenzoic acid, 3-chloroprop-2-enyl ester. p-Nitrobenzoic acid, isobutyl ester.

Find more compounds similar to Benzoic acid, 4-nitro-, methyl ester.

Sources

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