- InChI
- InChI=1S/C28H50O4/c1-2-3-4-5-6-7-8-9-10-16-22-31-27(29)25-19-14-15-20-26(25)28(30)32-23-21-24-17-12-11-13-18-24/h24-26H,2-23H2,1H3
- InChI Key
- NGEAJBDVYIQVRX-UHFFFAOYSA-N
- Formula
- C28H50O4
- SMILES
-
CCCCCCCCCCCCOC(=O)C1CCCCC1C(=O
)OCCC1CCCCC1 - Molecular Weight1
- 450.70
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : 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).
- 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).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 1.0591 | Relay (1.0) Calculated Property | |
| ΔfG° | -394.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1154.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.771 | Crippen Calculated Property | |
| McVol | 398.540 | ml/mol | McGowan Calculated Property |
| Pc | 807.54 | kPa | Joback Calculated Property |
| Inp | [3224.00; 3224.00] |
|
|
| Inp | 3224.00 | NIST | |
| Inp | 3224.00 | NIST | |
| Tboil | 704.44 | K | Relay (1.0) Calculated Property |
| Tc | 928.79 | K | Relay (1.0) Calculated Property |
| Tfus | 311.14 | K | Relay (1.0) Calculated Property |
| Vc | 1.473 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [558.17; 1456.90] | 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 | -9.70170e+01 | |||
| Coefficient B | 2.77192e+00 | |||
| Coefficient C | -1.41680e-03 | |||
| Coefficient D | 1.98800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 558.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 715.10 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 856.30 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 982.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1094.01 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1191.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1276.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1348.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1408.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1456.90 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006680; 0.0000314] | Pa×s | [500.50; 849.38] |
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 | -1.47582e+01 | |||
| Coefficient B | 3.72721e+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. | 500.50 | |||
| Temperature range, max. | 849.38 | |||
| η | 0.0006680 | Pa×s | 500.50 | Calculated Property |
| η | 0.0003911 | Pa×s | 539.26 | Calculated Property |
| η | 0.0002460 | Pa×s | 578.03 | Calculated Property |
| η | 0.0001641 | Pa×s | 616.79 | Calculated Property |
| η | 0.0001148 | Pa×s | 655.56 | Calculated Property |
| η | 0.0000836 | Pa×s | 694.32 | Calculated Property |
| η | 0.0000629 | Pa×s | 733.09 | Calculated Property |
| η | 0.0000487 | Pa×s | 771.85 | Calculated Property |
| η | 0.0000387 | Pa×s | 810.61 | Calculated Property |
| η | 0.0000314 | Pa×s | 849.38 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl dodecyl ester.
Sources
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