Chemical Properties of 1,3-Benzenedicarboxylic acid, 5-amino-, dimethyl ester (CAS 99-27-4)

1,3-Benzenedicarboxylic acid, 5-amino-, dimethyl ester

InChI
InChI=1S/C10H11NO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,11H2,1-2H3
InChI Key
DEKPYXUDJRABNK-UHFFFAOYSA-N
Formula
C10H11NO4
SMILES
COC(=O)c1cc(N)cc(C(=O)OC)c1
Molecular Weight1
209.20
CAS
99-27-4
Other Names
  • 3,5-Dicarbomethoxyaniline
  • 5-Amino-1,3-isophthalic acid dimethyl ester
  • 5-Aminoisophthalic acid dimethyl ester
  • 5-Aminoisophthalic acid, dimethyl ester
  • Dimethyl 5-aminoisophthalate
  • Isophthalic acid, 5-amino-, dimethyl ester
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Physical Properties

Property Value Unit Source
ω 0.7329 Relay (1.0) Calculated Property
ΔfH°gas -616.93 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 28.85 kJ/mol Joback Calculated Property
ΔvapH° 81.85 kJ/mol Relay (1.0) Calculated Property
IE 8.37 eV Relay (1.0) Calculated Property
log10WS -2.72 Relay (1.0) Calculated Property
logPoct/wat 0.842 Crippen Calculated Property
McVol 152.860 ml/mol McGowan Calculated Property
Pc 3052.41 kPa Joback Calculated Property
Tboil 602.43 K Relay (1.0) Calculated Property
Tc 808.10 K Relay (1.0) Calculated Property
Tfus 453.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc 0.556 m3/kmol Relay (1.0) Calculated Property

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [218.51; 462.82] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A4.58000e+01
Coefficient B7.08240e-01
Coefficient C-2.71520e-04
Coefficient D-1.97000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 218.51 J/mol×K 273.00 Calculated Property
Cp,gas 261.50 J/mol×K 353.78 Calculated Property
Cp,gas 300.68 J/mol×K 434.56 Calculated Property
Cp,gas 335.98 J/mol×K 515.33 Calculated Property
Cp,gas 367.33 J/mol×K 596.11 Calculated Property
Cp,gas 394.69 J/mol×K 676.89 Calculated Property
Cp,gas 417.97 J/mol×K 757.67 Calculated Property
Cp,gas 437.13 J/mol×K 838.44 Calculated Property
Cp,gas 452.10 J/mol×K 919.22 Calculated Property
Cp,gas 462.82 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benzoic acid, 3-amino-, methyl ester. 1,3-Benzenedicarboxylic acid, 5-nitro-, dimethyl ester. Benzoic acid, 3-amino-, ethyl ester. Methyl 3,4-diaminobenzoate. Benzoic acid, 3-amino-, tert.-butyl ester. Benzoic acid, 3-amino-, isopropyl ester. 3,5-diaminobenzoic acid. Benzoic acid, 3-amino-, 2-methylpropyl ester. 1,4-Benzenedicarboxylic acid, 2-amino-, dimethyl ester. 1,3-Benzenedicarboxylic acid, 5-nitro-, bis(1-methylethyl) ester. Benzoic acid, 3-amino-. Chloramben methyl. 3-Methoxycarbonylphenyl isothiocyanate. Methyl 3-amino-4-hydroxybenzoate. 1,3,5-Benzenetricarboxylic acid, trimethyl ester.

Find more compounds similar to 1,3-Benzenedicarboxylic acid, 5-amino-, dimethyl ester.

Sources

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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