Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2,6-dimethoxyphenyl hexyl ester

1,2-Cyclohexanedicarboxylic acid, 2,6-dimethoxyphenyl hexyl ester

InChI
InChI=1S/C22H32O6/c1-4-5-6-9-15-27-21(23)16-11-7-8-12-17(16)22(24)28-20-18(25-2)13-10-14-19(20)26-3/h10,13-14,16-17H,4-9,11-12,15H2,1-3H3
InChI Key
FVTIQQVLQUWOJI-UHFFFAOYSA-N
Formula
C22H32O6
SMILES
CCCCCCOC(=O)C1CCCCC1C(=O)Oc1c(OC)cccc1OC
Molecular Weight1
392.49
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° 50.02 kJ/mol Joback Calculated Property
log10WS -4.77 Relay (1.0) Calculated Property
logPoct/wat 4.539 Crippen Calculated Property
McVol 312.840 ml/mol McGowan Calculated Property
Pc 1204.80 kPa Joback Calculated Property
Inp [2789.00; 2789.00]   Show Hide
Inp 2789.00 NIST
Inp 2789.00 NIST
Tfus 347.40 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, 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 [447.66; 1074.67] 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 A1.97350e+01
Coefficient B1.75556e+00
Coefficient C-6.84520e-04
Coefficient D-1.61000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 447.66 J/mol×K 273.00 Calculated Property
Cp,gas 554.43 J/mol×K 353.78 Calculated Property
Cp,gas 652.04 J/mol×K 434.56 Calculated Property
Cp,gas 740.44 J/mol×K 515.33 Calculated Property
Cp,gas 819.59 J/mol×K 596.11 Calculated Property
Cp,gas 889.43 J/mol×K 676.89 Calculated Property
Cp,gas 949.91 J/mol×K 757.67 Calculated Property
Cp,gas 1000.97 J/mol×K 838.44 Calculated Property
Cp,gas 1042.58 J/mol×K 919.22 Calculated Property
Cp,gas 1074.67 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0003411; 0.0000416] Pa×s [521.42; 791.64] 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-1.41455e+01
Coefficient B3.21306e+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.521.42
Temperature range, max.791.64
η 0.0003411 Pa×s 521.42 Calculated Property
η 0.0002439 Pa×s 551.44 Calculated Property
η 0.0001805 Pa×s 581.47 Calculated Property
η 0.0001376 Pa×s 611.49 Calculated Property
η 0.0001076 Pa×s 641.52 Calculated Property
η 0.0000860 Pa×s 671.54 Calculated Property
η 0.0000701 Pa×s 701.57 Calculated Property
η 0.0000581 Pa×s 731.59 Calculated Property
η 0.0000489 Pa×s 761.62 Calculated Property
η 0.0000416 Pa×s 791.64 Calculated Property

Similar Compounds

1,2-Cyclohexanedicarboxylic acid, 2,6-dimethoxyphenyl heptyl ester. 1,2-Cyclohexanedicarboxylic acid, 2,6-dimethoxyphenyl octyl ester. 1,2-Cyclohexanedicarboxylic acid, 2,6-dimethoxyphenyl pentyl ester. 1,2-Cyclohexanedicarboxylic acid, butyl 2,6-dimethoxyphenyl ester. 1,2-Cyclohexanedicarboxylic acid, 2,6-dimethoxyphenyl propyl ester. 1,2-Cyclohexanedicarboxylic acid, 2,6-dimethoxyphenyl isobutyl ester. 1,2-Cyclohexanedicarboxylic acid, 2,6-dimethoxyphenyl ethyl ester. 1,2-Cyclohexanedicarboxylic acid, dodecyl 4-methoxyphenyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-methoxyphenyl pentyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-methoxyphenyl nonyl ester. 1,2-Cyclohexanedicarboxylic acid, heptyl 4-methoxyphenyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-methoxyphenyl octyl ester. 1,2-Cyclohexanedicarboxylic acid, hexyl 4-methoxyphenyl ester. 1,2-Cyclohexanedicarboxylic acid, decyl 4-methoxyphenyl ester. 1,2-Cyclohexanedicarboxylic acid, isohexyl 4-methoxyphenyl ester.

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2,6-dimethoxyphenyl hexyl 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.