- InChI
- InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
- InChI Key
- VOWAEIGWURALJQ-UHFFFAOYSA-N
- Formula
- C20H26O4
- SMILES
-
O=C(OC1CCCCC1)c1ccccc1C(=O)OC1
CCCCC1 - Molecular Weight1
- 330.42
- CAS
- 84-61-7
- Other Names
-
- 1,2-Benzenedicarboxylic acid, dicyclohexyl ester
- Phthalic acid, dicyclohexyl ester
- Ergoplast FDC
- HF 191
- KP 201
- Unimoll 66
- Ergoplast.fdc
- Howflex CP
- DCHP
- Dicyclohexyl benzene-1,2-dicarboxylate
- Morflex 150
- Unimoll 66 M
- Uniplex 250
- 1,2-Benzenedicarboxylic acid, 1,2-dicyclohexyl ester
- NSC 6101
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -10655.00 ± 11.00 | kJ/mol | NIST |
| ΔfH°gas | -780.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -931.00 ± 11.00 | kJ/mol | NIST |
| ΔfusH° | 33.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.666 | Crippen Calculated Property | |
| McVol | 262.060 | ml/mol | McGowan Calculated Property |
| Pc | 1733.22 | kPa | Joback Calculated Property |
| Inp | [2453.00; 2533.00] |
|
|
| Inp | 2475.00 | NIST | |
| Inp | 2461.00 | NIST | |
| Inp | 2472.00 | NIST | |
| Inp | 2523.00 | NIST | |
| Inp | 2524.00 | NIST | |
| Inp | 2524.00 | NIST | |
| Inp | 2526.00 | NIST | |
| Inp | 2526.00 | NIST | |
| Inp | 2527.00 | NIST | |
| Inp | 2533.00 | NIST | |
| Inp | 2461.00 | NIST | |
| Inp | 2453.00 | NIST | |
| Inp | 2461.00 | NIST | |
| Inp | 2472.00 | NIST | |
| Inp | 2523.00 | NIST | |
| Inp | 2527.00 | NIST | |
| Tboil | 667.72 | K | Relay (1.0) Calculated Property |
| Tfus | 311.34 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 97.00 | kJ/mol | 433.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [331.49; 915.95] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.15290e+02 | |||
| Coefficient B | 1.90000e+00 | |||
| Coefficient C | -1.00116e-03 | |||
| Coefficient D | 1.32400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 331.49 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 437.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 532.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 616.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 689.61 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 753.15 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 807.14 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 851.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 888.12 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 915.95 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011929; 0.0000687] | Pa×s | [453.52; 761.11] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.37956e+01 | |||
| Coefficient B | 3.20378e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 453.52 | |||
| Temperature range, max. | 761.11 | |||
| η | 0.0011929 | Pa×s | 453.52 | Calculated Property |
| η | 0.0007271 | Pa×s | 487.70 | Calculated Property |
| η | 0.0004729 | Pa×s | 521.87 | Calculated Property |
| η | 0.0003243 | Pa×s | 556.05 | Calculated Property |
| η | 0.0002323 | Pa×s | 590.23 | Calculated Property |
| η | 0.0001726 | Pa×s | 624.40 | Calculated Property |
| η | 0.0001322 | Pa×s | 658.58 | Calculated Property |
| η | 0.0001040 | Pa×s | 692.75 | Calculated Property |
| η | 0.0000837 | Pa×s | 726.93 | Calculated Property |
| η | 0.0000687 | Pa×s | 761.11 | Calculated Property |
Similar Compounds
Find more compounds similar to Dicyclohexyl phthalate.
Sources
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