Chemical Properties of 1,3-Benzenedicarboxylic acid, dimethyl ester (CAS 1459-93-4)

1,3-Benzenedicarboxylic acid, dimethyl ester

PDF Excel Molecule Calculator
InChI
InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3
InChI Key
VNGOYPQMJFJDLV-UHFFFAOYSA-N
Formula
C10H10O4
SMILES
COC(=O)c1cccc(C(=O)OC)c1
Molecular Weight1
194.18
CAS
1459-93-4
Other Names
  • 1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester
  • DIMETHYL 1,3-BENZENEDICARBOXYLATE
  • DIMETHYL M-PHTHALATE
  • Dimethyl benzene-1,3-dicarboxylate
  • Dimethyl isophthalate
  • Dimethylester kyseliny isoftalove
  • Dimethylester kyseliny tereftalove
  • Isophthalic acid, dimethyl ester
  • Methyl 3-(carbomethoxy)benzoate
  • Methyl isophthalate
  • Morflex 1129
  • NSC 15313
  • Uniplex 270
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
PAff 843.50 kJ/mol NIST
BasG 814.30 kJ/mol NIST
Δcsolid [-4634.20; -4633.37] kJ/mol Show Hide
Δcsolid -4634.20 ± 1.50 kJ/mol NIST
Δcsolid -4633.37 ± 0.88 kJ/mol NIST
EA 0.55 eV NIST
Δf -331.74 kJ/mol Joback Calculated Property
Δfgas [-630.00; -629.20] kJ/mol Show Hide
Δfgas -629.20 ± 2.00 kJ/mol NIST
Δfgas -630.00 kJ/mol NIST
Δfsolid [-730.90; -730.10] kJ/mol Show Hide
Δfsolid -730.10 ± 2.00 kJ/mol NIST
Δfsolid -730.90 ± 1.00 kJ/mol NIST
Δfus 20.88 kJ/mol Joback Calculated Property
Δsub [100.70; 100.90] kJ/mol Show Hide
Δsub 100.70 kJ/mol NIST
Δsub 100.90 ± 0.20 kJ/mol NIST
Δsub 100.90 kJ/mol NIST
Δsub 100.90 ± 0.20 kJ/mol NIST
Δvap 77.20 ± 0.80 kJ/mol NIST
IE 9.84 ± 0.09 eV NIST
log10WS -1.96 Crippen Calculated Property
logPoct/wat 1.260 Crippen Calculated Property
McVol 142.880 ml/mol McGowan Calculated Property
Pc 2650.00 ± 200.00 kPa NIST
ρc 341.96 ± 25.24 kg/m3 NIST
Inp [256.92; 1512.00]   Show Hide
Inp 1476.00 NIST
Inp 1470.00 NIST
Inp 1479.00 NIST
Inp 1488.00 NIST
Inp 1499.00 NIST
Inp 1512.00 NIST
Inp 1478.00 NIST
Inp 1488.00 NIST
Inp 1476.00 NIST
Inp 1457.00 NIST
Inp 1479.00 NIST
Inp 1488.00 NIST
Inp Outlier 256.92 NIST
Tboil [555.00; 555.20] K Show Hide
Tboil 555.20 K NIST
Tboil 555.00 K NIST
Tc 766.00 ± 6.00 K NIST
Tfus [340.70; 341.15] K Show Hide
Tfus 341.15 ± 0.25 K NIST
Tfus 340.70 ± 0.20 K NIST
Ttriple 341.50 ± 0.30 K NIST
Vc 0.535 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [338.80; 399.66] J/mol×K [612.44; 831.50] Show Hide
Cp,gas 338.80 J/mol×K 612.44 Joback Calculated Property
Cp,gas 350.71 J/mol×K 648.95 Joback Calculated Property
Cp,gas 361.93 J/mol×K 685.46 Joback Calculated Property
Cp,gas 372.43 J/mol×K 721.97 Joback Calculated Property
Cp,gas 382.23 J/mol×K 758.48 Joback Calculated Property
Cp,gas 391.31 J/mol×K 794.99 Joback Calculated Property
Cp,gas 399.66 J/mol×K 831.50 Joback Calculated Property
η [0.0001824; 0.0012091] Pa×s [385.72; 612.44] Show Hide
η 0.0012091 Pa×s 385.72 Joback Calculated Property
η 0.0007664 Pa×s 423.51 Joback Calculated Property
η 0.0005235 Pa×s 461.29 Joback Calculated Property
η 0.0003788 Pa×s 499.08 Joback Calculated Property
η 0.0002869 Pa×s 536.87 Joback Calculated Property
η 0.0002254 Pa×s 574.65 Joback Calculated Property
η 0.0001824 Pa×s 612.44 Joback Calculated Property
ΔfusH 25.30 kJ/mol 341.20 NIST
ΔsubH 100.70 ± 0.20 kJ/mol 302.00 NIST
ΔvapH 60.50 kJ/mol 471.50 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr [397.00; 397.20] K [1.60; 1.60] Show Hide
Tboilr 397.20 K 1.60 NIST
Tboilr 397.00 K 1.60 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.00; 202.66] kPa [402.65; 551.79] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.42560e+01
Coefficient B-3.58033e+03
Coefficient C-1.51505e+02
Temperature range, min.402.65
Temperature range, max.551.79
Pvap 1.00 kPa 402.65 Calculated Property
Pvap 2.42 kPa 419.22 Calculated Property
Pvap 5.27 kPa 435.79 Calculated Property
Pvap 10.54 kPa 452.36 Calculated Property
Pvap 19.63 kPa 468.93 Calculated Property
Pvap 34.34 kPa 485.51 Calculated Property
Pvap 57.01 kPa 502.08 Calculated Property
Pvap 90.39 kPa 518.65 Calculated Property
Pvap 137.72 kPa 535.22 Calculated Property
Pvap 202.66 kPa 551.79 Calculated Property
Pvap [0.04; 1.78] kPa [358.15; 426.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A2.16028e+02
Coefficient B-1.74767e+04
Coefficient C-2.93749e+01
Coefficient D1.88069e-05
Temperature range, min.358.15
Temperature range, max.426.15
Pvap 0.04 kPa 358.15 Calculated Property
Pvap 0.07 kPa 365.71 Calculated Property
Pvap 0.12 kPa 373.26 Calculated Property
Pvap 0.18 kPa 380.82 Calculated Property
Pvap 0.28 kPa 388.37 Calculated Property
Pvap 0.42 kPa 395.93 Calculated Property
Pvap 0.62 kPa 403.48 Calculated Property
Pvap 0.89 kPa 411.04 Calculated Property
Pvap 1.27 kPa 418.59 Calculated Property
Pvap 1.78 kPa 426.15 Calculated Property

Similar Compounds

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

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

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.