- InChI
- InChI=1S/C22H38O4/c1-2-3-4-10-16-25-21(23)19-13-8-9-14-20(19)22(24)26-17-15-18-11-6-5-7-12-18/h18-20H,2-17H2,1H3
- InChI Key
- DKUVZTYOJVMYRR-UHFFFAOYSA-N
- Formula
- C22H38O4
- SMILES
-
CCCCCCOC(=O)C1CCCCC1C(=O)OCCC1
CCCCC1 - Molecular Weight1
- 366.53
- 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 | 0.8369 | Relay (1.0) Calculated Property | |
| ΔfG° | -445.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1034.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.430 | Crippen Calculated Property | |
| McVol | 314.000 | ml/mol | McGowan Calculated Property |
| Pc | 1154.57 | kPa | Joback Calculated Property |
| Inp | [2599.00; 2599.00] |
|
|
| Inp | 2599.00 | NIST | |
| Inp | 2599.00 | NIST | |
| Tboil | 663.90 | K | Relay (1.0) Calculated Property |
| Tc | 885.14 | K | Relay (1.0) Calculated Property |
| Tfus | 296.23 | K | Relay (1.0) Calculated Property |
| Vc | 1.150 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [430.89; 1147.36] | 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 | -9.15630e+01 | |||
| Coefficient B | 2.20192e+00 | |||
| Coefficient C | -1.09040e-03 | |||
| Coefficient D | 1.27400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 430.89 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 556.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 669.84 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 771.02 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 860.54 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 938.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1006.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1063.18 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1110.09 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1147.36 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015558; 0.0000736] | Pa×s | [432.88; 743.41] |
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 | -1.37709e+01 | |||
| Coefficient B | 3.16225e+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. | 432.88 | |||
| Temperature range, max. | 743.41 | |||
| η | 0.0015558 | Pa×s | 432.88 | Calculated Property |
| η | 0.0009073 | Pa×s | 467.38 | Calculated Property |
| η | 0.0005698 | Pa×s | 501.89 | Calculated Property |
| η | 0.0003800 | Pa×s | 536.39 | Calculated Property |
| η | 0.0002661 | Pa×s | 570.89 | Calculated Property |
| η | 0.0001940 | Pa×s | 605.40 | Calculated Property |
| η | 0.0001464 | Pa×s | 639.90 | Calculated Property |
| η | 0.0001137 | Pa×s | 674.41 | Calculated Property |
| η | 0.0000905 | Pa×s | 708.91 | Calculated Property |
| η | 0.0000736 | Pa×s | 743.41 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl hexyl ester.
Sources
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