Chemical Properties of 1,3-Benzenedicarboxylic acid, monomethyl ester (CAS 1877-71-0)

1,3-Benzenedicarboxylic acid, monomethyl ester

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InChI
InChI=1S/C9H8O4/c1-13-9(12)7-4-2-3-6(5-7)8(10)11/h2-5H,1H3,(H,10,11)
InChI Key
WMZNGTSLFSJHMZ-UHFFFAOYSA-N
Formula
C9H8O4
SMILES
COC(=O)c1cccc(C(=O)O)c1
Molecular Weight1
180.16
CAS
1877-71-0
Other Names
  • Isophthalic acid, monomethyl ester
  • Methyl hydrogen isophthalate
  • Monomethyl isophthalate
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Physical Properties

Property Value Unit Source
Δf -371.98 kJ/mol Joback Calculated Property
Δfgas -513.64 kJ/mol Joback Calculated Property
Δfus 36.50 kJ/mol Vapor P...
Δsub 125.60 ± 1.00 kJ/mol NIST
Δvap 71.15 kJ/mol Joback Calculated Property
log10WS -1.77 Crippen Calculated Property
logPoct/wat 1.171 Crippen Calculated Property
McVol 128.790 ml/mol McGowan Calculated Property
Pc 4082.92 kPa Joback Calculated Property
Tboil 659.32 K Joback Calculated Property
Tc 868.49 K Joback Calculated Property
Tfus 413.04 K Joback Calculated Property
Vc 0.480 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [313.39; 358.88] J/mol×K [659.32; 868.49] Show Hide
Cp,gas 313.39 J/mol×K 659.32 Joback Calculated Property
Cp,gas 322.42 J/mol×K 694.18 Joback Calculated Property
Cp,gas 330.85 J/mol×K 729.04 Joback Calculated Property
Cp,gas 338.71 J/mol×K 763.90 Joback Calculated Property
Cp,gas 346.00 J/mol×K 798.77 Joback Calculated Property
Cp,gas 352.72 J/mol×K 833.63 Joback Calculated Property
Cp,gas 358.88 J/mol×K 868.49 Joback Calculated Property
η [0.0000688; 0.0015914] Pa×s [413.04; 659.32] Show Hide
η 0.0015914 Pa×s 413.04 Joback Calculated Property
η 0.0007440 Pa×s 454.09 Joback Calculated Property
η 0.0003946 Pa×s 495.13 Joback Calculated Property
η 0.0002306 Pa×s 536.18 Joback Calculated Property
η 0.0001455 Pa×s 577.23 Joback Calculated Property
η 0.0000976 Pa×s 618.27 Joback Calculated Property
η 0.0000688 Pa×s 659.32 Joback Calculated Property
ΔfusH 36.50 kJ/mol 466.70 NIST
ΔsubH 122.60 ± 0.70 kJ/mol 369.00 NIST

Similar Compounds

1,3-Benzenedicarboxylic acid, dimethyl ester. Isophthalic acid. 3-CN-C6H4-COOCH3. 4-Methoxycarbonylbenzoic acid. 1,3,5-Benzenetricarboxylic acid, trimethyl ester. Methyl hydrogen phthalate. Benzoic acid, 3-methyl-, methyl ester. Methyl 3-trifluoromethylbenzoate. Benzoic acid, methyl ester. 1,3-Benzenedicarboxylic acid, diethyl ester. 1,2,4-Benzenetricarboxylic acid, trimethyl ester. Trimellitic acid anhydride. 1,2,3-Benzenetricarboxylic acid, trimethyl ester. Isophthalic acid, di(2-chloroethyl) ester. Diallyl isophthalate.

Find more compounds similar to 1,3-Benzenedicarboxylic acid, monomethyl ester.

Sources

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