Chemical Properties of Isophthalic acid (CAS 121-91-5)

Isophthalic acid

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InChI
InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChI Key
QQVIHTHCMHWDBS-UHFFFAOYSA-N
Formula
C8H6O4
SMILES
O=C(O)c1cccc(C(=O)O)c1
Molecular Weight1
166.13
CAS
121-91-5
Other Names
  • 1,3-Benzenedicarboxylic acid
  • Acide isophtalique
  • Benzene,1,3-dicarboxylic acid
  • IPA
  • Kyselina isoftalova
  • NSC 15310
  • m-Benzenedicarboxylic acid
  • m-Dicarboxybenzene
  • m-Phthalic acid
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Physical Properties

Property Value Unit Source
Δcsolid [-3217.85; -3202.60] kJ/mol Show Hide
Δcsolid -3204.10 ± 1.50 kJ/mol NIST
Δcsolid -3202.60 ± 0.50 kJ/mol NIST
Δcsolid -3217.85 kJ/mol NIST
Δcsolid -3215.37 kJ/mol NIST
Δf -412.22 kJ/mol Joback Calculated Property
Δfgas -513.01 kJ/mol Joback Calculated Property
Δfsolid [-803.04; -801.50] kJ/mol Show Hide
Δfsolid -801.50 ± 1.50 kJ/mol NIST
Δfsolid -803.04 kJ/mol NIST
Δfus 21.50 kJ/mol Joback Calculated Property
Δsub 142.00 ± 0.70 kJ/mol NIST
Δvap 83.19 kJ/mol Joback Calculated Property
IE 10.00 ± 0.20 eV NIST
log10WS -1.59 Crippen Calculated Property
logPoct/wat 1.083 Crippen Calculated Property
McVol 114.700 ml/mol McGowan Calculated Property
Pc 5406.57 kPa Joback Calculated Property
Tboil 706.20 K Joback Calculated Property
Tc 907.67 K Joback Calculated Property
Tfus 621.20 K Solid-L...
Vc 0.425 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [282.80; 315.57] J/mol×K [706.20; 907.67] Show Hide
Cp,gas 282.80 J/mol×K 706.20 Joback Calculated Property
Cp,gas 289.37 J/mol×K 739.78 Joback Calculated Property
Cp,gas 295.47 J/mol×K 773.36 Joback Calculated Property
Cp,gas 301.12 J/mol×K 806.93 Joback Calculated Property
Cp,gas 306.34 J/mol×K 840.51 Joback Calculated Property
Cp,gas 311.15 J/mol×K 874.09 Joback Calculated Property
Cp,gas 315.57 J/mol×K 907.67 Joback Calculated Property
Cp,solid [201.70; 201.70] J/mol×K [323.00; 323.00] Show Hide
Cp,solid 201.70 J/mol×K 323.00 NIST
Cp,solid 201.70 J/mol×K 323.00 NIST
η [0.0000196; 0.0013822] Pa×s [440.36; 706.20] Show Hide
η 0.0013822 Pa×s 440.36 Joback Calculated Property
η 0.0004918 Pa×s 484.67 Joback Calculated Property
η 0.0002081 Pa×s 528.97 Joback Calculated Property
η 0.0001006 Pa×s 573.28 Joback Calculated Property
η 0.0000539 Pa×s 617.59 Joback Calculated Property
η 0.0000314 Pa×s 661.89 Joback Calculated Property
η 0.0000196 Pa×s 706.20 Joback Calculated Property
ΔfusH 43.20 kJ/mol 617.40 NIST
ΔsubH [106.70; 134.60] kJ/mol [450.00; 528.00] Show Hide
ΔsubH 134.60 ± 1.60 kJ/mol 450.00 NIST
ΔsubH 114.20 kJ/mol 528.00 NIST
ΔsubH 106.70 ± 2.20 kJ/mol 528.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [2.81; 3941.63] kPa [619.15; 1007.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A2.32607e+02
Coefficient B-2.87138e+04
Coefficient C-2.91467e+01
Coefficient D5.64805e-06
Temperature range, min.619.15
Temperature range, max.1007.00
Pvap 2.81 kPa 619.15 Calculated Property
Pvap 11.03 kPa 662.24 Calculated Property
Pvap 34.63 kPa 705.34 Calculated Property
Pvap 91.28 kPa 748.43 Calculated Property
Pvap 209.74 kPa 791.53 Calculated Property
Pvap 432.48 kPa 834.62 Calculated Property
Pvap 819.01 kPa 877.72 Calculated Property
Pvap 1450.79 kPa 920.81 Calculated Property
Pvap 2439.68 kPa 963.91 Calculated Property
Pvap 3941.63 kPa 1007.00 Calculated Property

Similar Compounds

1,3-Benzenedicarboxylic acid, monomethyl ester. Benzoic acid, 3-cyano-. 1,3,5-Benzenetricarboxylic acid. Benzoic acid. Benzoic acid, 3-formyl-. 3-(Trifluoromethyl)benzoic acid. Benzoic acid, 3-methyl-. 1,2,4-Benzenetricarboxylic acid. 1,2,3-Benzenetricarboxylic acid. 1,3-Benzenedicarboxylic acid, dimethyl ester. 1,2-Benzenedicarboxylic acid. Terephthalic acid. 3,5-Bis(trifluoromethyl)benzoic acid. Trimellitic acid anhydride. C8H7ClO2.

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Mixtures

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Sources

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