Chemical Properties of 1,2-Benzenedicarboxylic acid, bis(6-methylheptyl) ester (CAS 131-20-4)

1,2-Benzenedicarboxylic acid, bis(6-methylheptyl) ester

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InChI
InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3
InChI Key
IJFPVINAQGWBRJ-UHFFFAOYSA-N
Formula
C24H38O4
SMILES
CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C
Molecular Weight1
390.56
CAS
131-20-4
Other Names
  • 27554-26-3
  • Bis(6-methylheptyl) phthalate
  • Diisooctyl phthalate
  • Phthalic acid, bis(6-methylheptyl) ester
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Physical Properties

Property Value Unit Source
Δf -218.74 kJ/mol Joback Calculated Property
Δfgas -813.79 kJ/mol Joback Calculated Property
Δfus 50.10 kJ/mol Joback Calculated Property
Δvap 89.49 kJ/mol Joback Calculated Property
log10WS [-6.64; -6.64]   Show Hide
log10WS -6.64 Aq. Sol...
log10WS -6.64 Estimat...
logPoct/wat 6.433 Crippen Calculated Property
McVol 340.140 ml/mol McGowan Calculated Property
Pc 1041.93 kPa Joback Calculated Property
Inp [2525.00; 2545.00]   Show Hide
Inp 2545.00 NIST
Inp 2540.00 NIST
Inp 2525.00 NIST
Inp 2540.00 NIST
Inp 2545.00 NIST
Tboil 931.88 K Joback Calculated Property
Tc 1142.43 K Joback Calculated Property
Tfus 513.50 K Joback Calculated Property
Vc 1.308 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1120.29; 1202.19] J/mol×K [931.88; 1142.43] Show Hide
Cp,gas 1120.29 J/mol×K 931.88 Joback Calculated Property
Cp,gas 1137.32 J/mol×K 966.97 Joback Calculated Property
Cp,gas 1152.94 J/mol×K 1002.06 Joback Calculated Property
Cp,gas 1167.20 J/mol×K 1037.16 Joback Calculated Property
Cp,gas 1180.14 J/mol×K 1072.25 Joback Calculated Property
Cp,gas 1191.79 J/mol×K 1107.34 Joback Calculated Property
Cp,gas 1202.19 J/mol×K 1142.43 Joback Calculated Property
η [0.0000256; 0.0004856] Pa×s [513.50; 931.88] Show Hide
η 0.0004856 Pa×s 513.50 Joback Calculated Property
η 0.0002219 Pa×s 583.23 Joback Calculated Property
η 0.0001198 Pa×s 652.96 Joback Calculated Property
η 0.0000729 Pa×s 722.69 Joback Calculated Property
η 0.0000484 Pa×s 792.42 Joback Calculated Property
η 0.0000343 Pa×s 862.15 Joback Calculated Property
η 0.0000256 Pa×s 931.88 Joback Calculated Property
ΔvapH 92.40 kJ/mol 436.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [535.57; 750.61] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.52850e+01
Coefficient B-6.40227e+03
Coefficient C-1.08683e+02
Temperature range, min.535.57
Temperature range, max.750.61
Pvap 1.33 kPa 535.57 Calculated Property
Pvap 2.95 kPa 559.46 Calculated Property
Pvap 6.03 kPa 583.36 Calculated Property
Pvap 11.52 kPa 607.25 Calculated Property
Pvap 20.72 kPa 631.14 Calculated Property
Pvap 35.41 kPa 655.04 Calculated Property
Pvap 57.85 kPa 678.93 Calculated Property
Pvap 90.86 kPa 702.82 Calculated Property
Pvap 137.82 kPa 726.72 Calculated Property
Pvap 202.66 kPa 750.61 Calculated Property
Pvap [1.97e-12; 1129.25] kPa [260.00; 851.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.53737e+02
Coefficient B-2.01401e+04
Coefficient C-1.86055e+01
Coefficient D3.42367e-06
Temperature range, min.260.00
Temperature range, max.851.00
Pvap 1.97e-12 kPa 260.00 Calculated Property
Pvap 2.07e-07 kPa 325.67 Calculated Property
Pvap 2.56e-04 kPa 391.33 Calculated Property
Pvap 0.03 kPa 457.00 Calculated Property
Pvap 0.73 kPa 522.67 Calculated Property
Pvap 7.66 kPa 588.33 Calculated Property
Pvap 44.00 kPa 654.00 Calculated Property
Pvap 167.82 kPa 719.67 Calculated Property
Pvap 481.36 kPa 785.33 Calculated Property
Pvap 1129.25 kPa 851.00 Calculated Property

Similar Compounds

Isooctyl decyl phthalate. Diisononyl phthalate. 3-methylnonyl 1,2-benzenedioate. 1,2-Benzenedicarboxylic acid, butyl 8-methylnonyl ester. Phthalic acid, di(4-methylpentyl) ester. 1,2-Benzenedicarboxylic acid, bis(4-methylpentyl) ester. Phthalic acid, heptyl 3-methylbutyl ester. Phthalic acid, 3-methylbutyl octadecyl ester. Phthalic acid, 3-methylbutyl octyl ester. Phthalic acid, 3-methylbutyl nonadecyl ester. Phthalic acid, heptadecyl 3-methylbutyl ester. Phthalic acid, decyl 3-methylbutyl ester. Phthalic acid, 3-methylbutyl tridecyl ester. Phthalic acid, 3-methylbutyl pentadecyl ester. Phthalic acid, 3-methylbutyl nonyl ester.

Find more compounds similar to 1,2-Benzenedicarboxylic acid, bis(6-methylheptyl) ester.

Sources

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