Chemical Properties of Fumaric acid, 2-isopropylphenyl dodec-2-en-1-yl ester

Fumaric acid, 2-isopropylphenyl dodec-2-en-1-yl ester

InChI
InChI=1S/C25H36O4/c1-4-5-6-7-8-9-10-11-12-15-20-28-24(26)18-19-25(27)29-23-17-14-13-16-22(23)21(2)3/h12-19,21H,4-11,20H2,1-3H3/b15-12+,19-18+
InChI Key
BVUIZCVUPIUNBZ-AHSPQICUSA-N
Formula
C25H36O4
SMILES
CCCCCCCCCC=CCOC(=O)C=CC(=O)Oc1ccccc1C(C)C
Molecular Weight1
400.55
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
ΔfusH° 59.78 kJ/mol Joback Calculated Property
log10WS -6.99 Relay (1.0) Calculated Property
logPoct/wat 6.512 Crippen Calculated Property
McVol 345.630 ml/mol McGowan Calculated Property
Inp [2851.00; 2851.00]   Show Hide
Inp 2851.00 NIST
Inp 2851.00 NIST
Tfus 294.93 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [485.47; 1143.13] 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 A-1.86710e+01
Coefficient B2.17676e+00
Coefficient C-1.28196e-03
Coefficient D2.67000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 485.47 J/mol×K 273.00 Calculated Property
Cp,gas 602.79 J/mol×K 353.78 Calculated Property
Cp,gas 707.08 J/mol×K 434.56 Calculated Property
Cp,gas 799.18 J/mol×K 515.33 Calculated Property
Cp,gas 879.94 J/mol×K 596.11 Calculated Property
Cp,gas 950.19 J/mol×K 676.89 Calculated Property
Cp,gas 1010.80 J/mol×K 757.67 Calculated Property
Cp,gas 1062.59 J/mol×K 838.44 Calculated Property
Cp,gas 1106.42 J/mol×K 919.22 Calculated Property
Cp,gas 1143.13 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0005082; 0.0000258] Pa×s [469.95; 796.86] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.48541e+01
Coefficient B3.41634e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.469.95
Temperature range, max.796.86
η 0.0005082 Pa×s 469.95 Calculated Property
η 0.0003017 Pa×s 506.27 Calculated Property
η 0.0001920 Pa×s 542.60 Calculated Property
η 0.0001294 Pa×s 578.92 Calculated Property
η 0.0000913 Pa×s 615.25 Calculated Property
η 0.0000670 Pa×s 651.57 Calculated Property
η 0.0000508 Pa×s 687.89 Calculated Property
η 0.0000396 Pa×s 724.22 Calculated Property
η 0.0000316 Pa×s 760.54 Calculated Property
η 0.0000258 Pa×s 796.86 Calculated Property

Similar Compounds

Fumaric acid, 2-isopropylphenyl 8-chlorooctyl ester. Succinic acid, dodec-2-en-1-yl 2-ethylphenyl ester. (-)-11-nor-9-carboxy-.DELTA.9-THC, trimethylsilyl ether, trimethylsilyl ester. Succinic acid, dodec-2-en-1-yl 2-propylphenyl ester. Fumaric acid, 2-isopropylphenyl 2-methylpent-3-yl ester. «delta»1-tetrahydrocannabinolic acid, TMS. propyl-«delta»1-tetrahydrocannabinolic acid, TMS. (-)-Bunolol methoxime, PFB-TMS. Heptyl-1-tetrahydrocannabinol, TBDMS. 2-Acetyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cyclohepten-7-ol, acetate (ester). 1-Tetrahydrocannabinol, TBDMS. Silane, (1,1-dimethylethyl)dimethyl[(6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-yl)oxy]-, (6aR-trans)-. Propyl-1-tetrahydrocannabinol, TBDMS. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Nalmefene, bis(trifluoroacetate).

Find more compounds similar to Fumaric acid, 2-isopropylphenyl dodec-2-en-1-yl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.